Isoxazoles

Aromatic organic heterocyclic compounds that consist of an azole with a nitrogen atom and an oxygen atom with the formula: C3H3NO.

1 – 15 of 56 results

3,5-Dimethylisoxazole, 99%

CAS: 300-87-8 Molecular Formula: C5H7NO Molecular Weight (g/mol): 97.117 MDL Number: MFCD00003156 InChI Key: FICAQKBMCKEFDI-UHFFFAOYSA-N Synonym: 3,5-dimethylisoxazole,isoxazole, 3,5-dimethyl,3,5-dimethylisooxazole,3,5-dwumetyloizoksazolu,3,5-dwumetyloizoksazolu polish,3,5-dimethylisoxazol,pubchem8641,isoxazole,5-dimethyl,3,5-dimethyl-isoxazole PubChem CID: 9312 IUPAC Name: 3,5-dimethyl-1,2-oxazole SMILES: CC1=CC(=NO1)C

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Specifications

PubChem CID	9312
CAS	300-87-8
Molecular Weight (g/mol)	97.117
MDL Number	MFCD00003156
SMILES	CC1=CC(=NO1)C
Synonym	3,5-dimethylisoxazole,isoxazole, 3,5-dimethyl,3,5-dimethylisooxazole,3,5-dwumetyloizoksazolu,3,5-dwumetyloizoksazolu polish,3,5-dimethylisoxazol,pubchem8641,isoxazole,5-dimethyl,3,5-dimethyl-isoxazole
IUPAC Name	3,5-dimethyl-1,2-oxazole
InChI Key	FICAQKBMCKEFDI-UHFFFAOYSA-N
Molecular Formula	C5H7NO

4-(Bromomethyl)-5-methyl-3-phenylisoxazole, 97%, Thermo Scientific™

CAS: 180597-83-5 Molecular Formula: C11H10BrNO Molecular Weight (g/mol): 252.11 MDL Number: MFCD02677680 InChI Key: UICMWXWMCOJBIQ-UHFFFAOYSA-N PubChem CID: 2776147 IUPAC Name: 4-(bromomethyl)-5-methyl-3-phenyl-1,2-oxazole SMILES: CC1=C(CBr)C(=NO1)C1=CC=CC=C1

Pricing and Availability
Specifications

PubChem CID	2776147
CAS	180597-83-5
Molecular Weight (g/mol)	252.11
MDL Number	MFCD02677680
SMILES	CC1=C(CBr)C(=NO1)C1=CC=CC=C1
IUPAC Name	4-(bromomethyl)-5-methyl-3-phenyl-1,2-oxazole
InChI Key	UICMWXWMCOJBIQ-UHFFFAOYSA-N
Molecular Formula	C11H10BrNO

3-(Bromomethyl)-5-methylisoxazole, 97%, Thermo Scientific™

CAS: 130628-75-0 Molecular Formula: C5H6BrNO Molecular Weight (g/mol): 176.01 MDL Number: MFCD02677720 InChI Key: ASGJFGPILHALRC-UHFFFAOYSA-N Synonym: 3-bromomethyl-5-methylisoxazole,3-bromomethyl-5-methyl-1,2-oxazole,3-bromomethyl-5-methyl-isoxazole,isoxazole,3-bromomethyl-5-methyl,zlchem 1313,acmc-1ca86,3-bromomethyl-5-methylisoxazol,5-brimomethyl-3-methylisoxazle PubChem CID: 2776304 IUPAC Name: 3-(bromomethyl)-5-methyl-1,2-oxazole SMILES: CC1=CC(CBr)=NO1

Pricing and Availability
Specifications

PubChem CID	2776304
CAS	130628-75-0
Molecular Weight (g/mol)	176.01
MDL Number	MFCD02677720
SMILES	CC1=CC(CBr)=NO1
Synonym	3-bromomethyl-5-methylisoxazole,3-bromomethyl-5-methyl-1,2-oxazole,3-bromomethyl-5-methyl-isoxazole,isoxazole,3-bromomethyl-5-methyl,zlchem 1313,acmc-1ca86,3-bromomethyl-5-methylisoxazol,5-brimomethyl-3-methylisoxazle
IUPAC Name	3-(bromomethyl)-5-methyl-1,2-oxazole
InChI Key	ASGJFGPILHALRC-UHFFFAOYSA-N
Molecular Formula	C5H6BrNO

5-Methyl-3-phenylisoxazole-4-carbonyl chloride, 90%, Thermo Scientific™

CAS: 16883-16-2 Molecular Formula: C11H8ClNO2 Molecular Weight (g/mol): 221.64 MDL Number: MFCD00052205 InChI Key: HXEVQMXCHCDPSO-UHFFFAOYSA-N Synonym: 5-methyl-3-phenylisoxazole-4-carbonyl chloride,pmic chloride,unii-97ot2t1w6v,3-phenyl-5-methylisoxazole-4-carbonyl chloride,4-isoxazolecarbonyl chloride, 5-methyl-3-phenyl,5-methyl-3-phenyl-4-isoxazolecarbonyl chloride,3-phenyl-5-methyl-isoxazole-4-carbonyl,pubchem8723,acmc-20am25,dsstox_cid_31452 PubChem CID: 85624 IUPAC Name: 5-methyl-3-phenyl-1,2-oxazole-4-carbonyl chloride SMILES: CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)Cl

Pricing and Availability
Specifications

PubChem CID	85624
CAS	16883-16-2
Molecular Weight (g/mol)	221.64
MDL Number	MFCD00052205
SMILES	CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)Cl
Synonym	5-methyl-3-phenylisoxazole-4-carbonyl chloride,pmic chloride,unii-97ot2t1w6v,3-phenyl-5-methylisoxazole-4-carbonyl chloride,4-isoxazolecarbonyl chloride, 5-methyl-3-phenyl,5-methyl-3-phenyl-4-isoxazolecarbonyl chloride,3-phenyl-5-methyl-isoxazole-4-carbonyl,pubchem8723,acmc-20am25,dsstox_cid_31452
IUPAC Name	5-methyl-3-phenyl-1,2-oxazole-4-carbonyl chloride
InChI Key	HXEVQMXCHCDPSO-UHFFFAOYSA-N
Molecular Formula	C11H8ClNO2

Isoxazole-5-carboxylic acid, 95%, Thermo Scientific™

CAS: 21169-71-1 Molecular Formula: C4H3NO3 Molecular Weight (g/mol): 113.072 MDL Number: MFCD00156151 InChI Key: MIIQJAUWHSUTIT-UHFFFAOYSA-N Synonym: isoxazole-5-carboxylic acid,5-isoxazolecarboxylic acid,isoxazole-5-carboxylicacid,5-carboxyisoxazole,pubchem8643,isoxazole-5-carboxylic,5-carboxy-1,2-oxazole,isoxazole 5-carboxylic acid,ksc207s2h PubChem CID: 2060599 IUPAC Name: 1,2-oxazole-5-carboxylic acid SMILES: C1=C(ON=C1)C(=O)O

Pricing and Availability
Specifications

PubChem CID	2060599
CAS	21169-71-1
Molecular Weight (g/mol)	113.072
MDL Number	MFCD00156151
SMILES	C1=C(ON=C1)C(=O)O
Synonym	isoxazole-5-carboxylic acid,5-isoxazolecarboxylic acid,isoxazole-5-carboxylicacid,5-carboxyisoxazole,pubchem8643,isoxazole-5-carboxylic,5-carboxy-1,2-oxazole,isoxazole 5-carboxylic acid,ksc207s2h
IUPAC Name	1,2-oxazole-5-carboxylic acid
InChI Key	MIIQJAUWHSUTIT-UHFFFAOYSA-N
Molecular Formula	C4H3NO3

(5-Phenylisoxazol-3-yl)methanol, 97%, Thermo Scientific™

CAS: 1619-37-0 Molecular Formula: C10H9NO2 Molecular Weight (g/mol): 175.187 MDL Number: MFCD01444104 InChI Key: BPAFLGGUEBMWRN-UHFFFAOYSA-N PubChem CID: 1481082 IUPAC Name: (5-phenyl-1,2-oxazol-3-yl)methanol SMILES: C1=CC=C(C=C1)C2=CC(=NO2)CO

Pricing and Availability
Specifications

PubChem CID	1481082
CAS	1619-37-0
Molecular Weight (g/mol)	175.187
MDL Number	MFCD01444104
SMILES	C1=CC=C(C=C1)C2=CC(=NO2)CO
IUPAC Name	(5-phenyl-1,2-oxazol-3-yl)methanol
InChI Key	BPAFLGGUEBMWRN-UHFFFAOYSA-N
Molecular Formula	C10H9NO2

3,5-Dimethylisoxazol-4-yl isocyanate, 95%, Thermo Scientific™

CAS: 131825-41-7 Molecular Formula: C6H6N2O2 Molecular Weight (g/mol): 138.126 MDL Number: MFCD00119910 InChI Key: JJQYAGYVYNMYGE-UHFFFAOYSA-N Synonym: 3,5-dimethylisoxazol-4-yl isocyanate,isoxazole,4-isocyanato-3,5-dimethyl,3,5-dimethylisoxazole-4-isocyanate,4-isocyanato-3,5-dimethylisoxazole,3,5-dimethyl isoxazol-4-yl isocyanate,3,5-dimethylisoxazol-4-ylisocyanate,acmc-20mu97,3,5-dimethylisoxazol-4-isocyanate,3,5-dimethyl-4-isocyanatoisoxazole,4-isocyanato3,5-dimethyl-isoxazole PubChem CID: 2736266 IUPAC Name: 4-isocyanato-3,5-dimethyl-1,2-oxazole SMILES: CC1=C(C(=NO1)C)N=C=O

Pricing and Availability
Specifications

PubChem CID	2736266
CAS	131825-41-7
Molecular Weight (g/mol)	138.126
MDL Number	MFCD00119910
SMILES	CC1=C(C(=NO1)C)N=C=O
Synonym	3,5-dimethylisoxazol-4-yl isocyanate,isoxazole,4-isocyanato-3,5-dimethyl,3,5-dimethylisoxazole-4-isocyanate,4-isocyanato-3,5-dimethylisoxazole,3,5-dimethyl isoxazol-4-yl isocyanate,3,5-dimethylisoxazol-4-ylisocyanate,acmc-20mu97,3,5-dimethylisoxazol-4-isocyanate,3,5-dimethyl-4-isocyanatoisoxazole,4-isocyanato3,5-dimethyl-isoxazole
IUPAC Name	4-isocyanato-3,5-dimethyl-1,2-oxazole
InChI Key	JJQYAGYVYNMYGE-UHFFFAOYSA-N
Molecular Formula	C6H6N2O2

5-Methylisoxazole-3-carboxylic acid, 97%, Thermo Scientific™

CAS: 3405-77-4 Molecular Formula: C5H5NO3 Molecular Weight (g/mol): 127.099 MDL Number: MFCD01318162 InChI Key: BNMPIJWVMVNSRD-UHFFFAOYSA-N Synonym: 5-methylisoxazole-3-carboxylic acid,5-methylisoxazole-3-carboxylicacid,3-isoxazolecarboxylic acid, 5-methyl,5-methyl-3-isoxazolecarboxylic acid,5-methyl-isoxazole-3-carboxylic acid,3-carboxy-5-methylisoxazole,3-isoxazolecarboxylicacid, 5-methyl,isoxazole acid,pubchem15552,ksc224c5p PubChem CID: 76947 IUPAC Name: 5-methyl-1,2-oxazole-3-carboxylic acid SMILES: CC1=CC(=NO1)C(=O)O

Pricing and Availability
Specifications

PubChem CID	76947
CAS	3405-77-4
Molecular Weight (g/mol)	127.099
MDL Number	MFCD01318162
SMILES	CC1=CC(=NO1)C(=O)O
Synonym	5-methylisoxazole-3-carboxylic acid,5-methylisoxazole-3-carboxylicacid,3-isoxazolecarboxylic acid, 5-methyl,5-methyl-3-isoxazolecarboxylic acid,5-methyl-isoxazole-3-carboxylic acid,3-carboxy-5-methylisoxazole,3-isoxazolecarboxylicacid, 5-methyl,isoxazole acid,pubchem15552,ksc224c5p
IUPAC Name	5-methyl-1,2-oxazole-3-carboxylic acid
InChI Key	BNMPIJWVMVNSRD-UHFFFAOYSA-N
Molecular Formula	C5H5NO3

4-(Bromomethyl)-3-methyl-5-phenylisoxazole, ≥95%, Thermo Scientific™

CAS: 113841-59-1 Molecular Formula: C11H10BrNO Molecular Weight (g/mol): 252.111 MDL Number: MFCD03086124 InChI Key: KCGVZUOBUPWFJC-UHFFFAOYSA-N PubChem CID: 2776518 IUPAC Name: 4-(bromomethyl)-3-methyl-5-phenyl-1,2-oxazole SMILES: CC1=NOC(=C1CBr)C2=CC=CC=C2

Pricing and Availability
Specifications

PubChem CID	2776518
CAS	113841-59-1
Molecular Weight (g/mol)	252.111
MDL Number	MFCD03086124
SMILES	CC1=NOC(=C1CBr)C2=CC=CC=C2
IUPAC Name	4-(bromomethyl)-3-methyl-5-phenyl-1,2-oxazole
InChI Key	KCGVZUOBUPWFJC-UHFFFAOYSA-N
Molecular Formula	C11H10BrNO

3-Methyl-5-phenyl-4-isoxazolecarboxylic acid, 97%, Thermo Scientific™

CAS: 17153-21-8 Molecular Formula: C11H9NO3 Molecular Weight (g/mol): 203.197 InChI Key: GLNQCTGGLIXRRJ-UHFFFAOYSA-N Synonym: 3-methyl-5-phenylisoxazole-4-carboxylic acid,3-methyl-5-phenyl-4-isoxazolecarboxylic acid,4-carboxy-3-methylisoxazol-5-yl benzene,3-methyl-5-phenyl-4-isoxazole carboxylic acid,3-methyl-5-phenyl-isoxazole-4-carboxylic acid,4-isoxazolecarboxylicacid, 3-methyl-5-phenyl,4-isoxazolecarboxylic acid, 3-methyl-5-phenyl PubChem CID: 2776514 IUPAC Name: 3-methyl-5-phenyl-1,2-oxazole-4-carboxylic acid SMILES: CC1=NOC(=C1C(=O)O)C2=CC=CC=C2

Pricing and Availability
Specifications

PubChem CID	2776514
CAS	17153-21-8
Molecular Weight (g/mol)	203.197
SMILES	CC1=NOC(=C1C(=O)O)C2=CC=CC=C2
Synonym	3-methyl-5-phenylisoxazole-4-carboxylic acid,3-methyl-5-phenyl-4-isoxazolecarboxylic acid,4-carboxy-3-methylisoxazol-5-yl benzene,3-methyl-5-phenyl-4-isoxazole carboxylic acid,3-methyl-5-phenyl-isoxazole-4-carboxylic acid,4-isoxazolecarboxylicacid, 3-methyl-5-phenyl,4-isoxazolecarboxylic acid, 3-methyl-5-phenyl
IUPAC Name	3-methyl-5-phenyl-1,2-oxazole-4-carboxylic acid
InChI Key	GLNQCTGGLIXRRJ-UHFFFAOYSA-N
Molecular Formula	C11H9NO3

5-(Bromomethyl)-3-phenylisoxazole, 97%, Thermo Scientific™

CAS: 2039-50-1 Molecular Formula: C10H8BrNO Molecular Weight (g/mol): 238.084 MDL Number: MFCD00159724 InChI Key: ANRMBFFXQKJEIS-UHFFFAOYSA-N PubChem CID: 2748796 IUPAC Name: 5-(bromomethyl)-3-phenyl-1,2-oxazole SMILES: C1=CC=C(C=C1)C2=NOC(=C2)CBr

Pricing and Availability
Specifications

PubChem CID	2748796
CAS	2039-50-1
Molecular Weight (g/mol)	238.084
MDL Number	MFCD00159724
SMILES	C1=CC=C(C=C1)C2=NOC(=C2)CBr
IUPAC Name	5-(bromomethyl)-3-phenyl-1,2-oxazole
InChI Key	ANRMBFFXQKJEIS-UHFFFAOYSA-N
Molecular Formula	C10H8BrNO

PubChem CID	2060599
CAS	21169-71-1
Molecular Weight (g/mol)	113.072
MDL Number	MFCD00156151
SMILES	C1=C(ON=C1)C(=O)O
Synonym	isoxazole-5-carboxylic acid,5-isoxazolecarboxylic acid,isoxazole-5-carboxylicacid,5-carboxyisoxazole,pubchem8643,isoxazole-5-carboxylic,5-carboxy-1,2-oxazole,isoxazole 5-carboxylic acid,ksc207s2h
IUPAC Name	1,2-oxazole-5-carboxylic acid
InChI Key	MIIQJAUWHSUTIT-UHFFFAOYSA-N
Molecular Formula	C4H3NO3

5-Methylisoxazole-3-carboxylic acid, 98+%

Pricing and Availability
Specifications

PubChem CID	76947
CAS	3405-77-4
Molecular Weight (g/mol)	127.099
MDL Number	MFCD01318162
SMILES	CC1=CC(=NO1)C(=O)O
Synonym	5-methylisoxazole-3-carboxylic acid,5-methylisoxazole-3-carboxylicacid,3-isoxazolecarboxylic acid, 5-methyl,5-methyl-3-isoxazolecarboxylic acid,5-methyl-isoxazole-3-carboxylic acid,3-carboxy-5-methylisoxazole,3-isoxazolecarboxylicacid, 5-methyl,isoxazole acid,pubchem15552,ksc224c5p
IUPAC Name	5-methyl-1,2-oxazole-3-carboxylic acid
InChI Key	BNMPIJWVMVNSRD-UHFFFAOYSA-N
Molecular Formula	C5H5NO3

Sulfamethoxazole, 98%

CAS: 723-46-6 Molecular Formula: C10H11N3O3S Molecular Weight (g/mol): 253.276 MDL Number: MFCD00010546 InChI Key: JLKIGFTWXXRPMT-UHFFFAOYSA-N Synonym: sulfamethoxazole,sulphamethoxazole,sulfisomezole,gantanol,sulfamethoxazol,metoxal,sulfamethylisoxazole,simsinomin,radonil,sinomin PubChem CID: 5329 ChEBI: CHEBI:9332 IUPAC Name: 4-amino-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide SMILES: CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)N

Pricing and Availability
Specifications

PubChem CID	5329
CAS	723-46-6
Molecular Weight (g/mol)	253.276
ChEBI	CHEBI:9332
MDL Number	MFCD00010546
SMILES	CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)N
Synonym	sulfamethoxazole,sulphamethoxazole,sulfisomezole,gantanol,sulfamethoxazol,metoxal,sulfamethylisoxazole,simsinomin,radonil,sinomin
IUPAC Name	4-amino-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
InChI Key	JLKIGFTWXXRPMT-UHFFFAOYSA-N
Molecular Formula	C10H11N3O3S

Isoxazole, 99%

CAS: 288-14-2 Molecular Formula: C3H3NO Molecular Weight (g/mol): 69.063 MDL Number: MFCD00003149 InChI Key: CTAPFRYPJLPFDF-UHFFFAOYSA-N Synonym: isoxazole,1-oxa-2-azacyclopentadiene,isooxazole,unii-00srw0m6pw,00srw0m6pw,isoxazoles,pubchem8623,acmc-209h4x,ksc204o6n PubChem CID: 9254 ChEBI: CHEBI:35595 IUPAC Name: 1,2-oxazole SMILES: C1=CON=C1

Pricing and Availability
Specifications

PubChem CID	9254
CAS	288-14-2
Molecular Weight (g/mol)	69.063
ChEBI	CHEBI:35595
MDL Number	MFCD00003149
SMILES	C1=CON=C1
Synonym	isoxazole,1-oxa-2-azacyclopentadiene,isooxazole,unii-00srw0m6pw,00srw0m6pw,isoxazoles,pubchem8623,acmc-209h4x,ksc204o6n
IUPAC Name	1,2-oxazole
InChI Key	CTAPFRYPJLPFDF-UHFFFAOYSA-N
Molecular Formula	C3H3NO

Isoxazoles

Isoxazoles

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