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Isoxazoles

Aromatic organic heterocyclic compounds that consist of an azole with a nitrogen atom and an oxygen atom with the formula: C3H3NO.
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1

5-Amino-3,4-dimethylisoxazole, 99%

CAS: 19947-75-2 Molecular Formula: C5H8N2O Molecular Weight (g/mol): 112.132 MDL Number: MFCD00046081 InChI Key: PYNDWPFZDQONDV-UHFFFAOYSA-N Synonym: 5-amino-3,4-dimethylisoxazole,3,4-dimethylisoxazol-5-amine,5-amino-3,4-dimethyl-isoxazole,5-isoxazolamine, 3,4-dimethyl,dimethyl-1,2-oxazol-5-amine,3,4-dimethyl-5-isoxazolamine,5-amino-3,4-dimethyl isoxazole,3,4-dimethylisoxazole-5-ylamine,3,4-dimethylisoxazol-5-ylamine,pubchem8660 PubChem CID: 88317 IUPAC Name: 3,4-dimethyl-1,2-oxazol-5-amine SMILES: CC1=C(ON=C1C)N

PubChem CID 88317
CAS 19947-75-2
Molecular Weight (g/mol) 112.132
MDL Number MFCD00046081
SMILES CC1=C(ON=C1C)N
Synonym 5-amino-3,4-dimethylisoxazole,3,4-dimethylisoxazol-5-amine,5-amino-3,4-dimethyl-isoxazole,5-isoxazolamine, 3,4-dimethyl,dimethyl-1,2-oxazol-5-amine,3,4-dimethyl-5-isoxazolamine,5-amino-3,4-dimethyl isoxazole,3,4-dimethylisoxazole-5-ylamine,3,4-dimethylisoxazol-5-ylamine,pubchem8660
IUPAC Name 3,4-dimethyl-1,2-oxazol-5-amine
InChI Key PYNDWPFZDQONDV-UHFFFAOYSA-N
Molecular Formula C5H8N2O
2

5-Methyl-3-phenylisoxazole-4-carboxylic acid, 99%

CAS: 1136-45-4 Molecular Formula: C11H9NO3 Molecular Weight (g/mol): 203.197 MDL Number: MFCD00003153 InChI Key: PENHKTNQUJMHIR-UHFFFAOYSA-N Synonym: 5-methyl-3-phenylisoxazole-4-carboxylic acid,4-isoxazolecarboxylic acid, 5-methyl-3-phenyl,5-methyl-3-phenyl-4-isoxazolecarboxylic acid,3-phenyl-5-methylisoxazol-4-carbonsaeure,3-phenyl-5-methylisoxazole-4-carboxylic acid,isoxazole-4-carboxylic acid, 5-methyl-3-phenyl,5-methyl-3-phenyl-isoxazole-4-carboxylic acid,5-methyl-3-phenylisoxazole-4-carboxylicacid,3-phenyl-5-methylisoxazol-4-carbonsaeure german,5-methyl-3-phenyl-4-isooxazolic acid PubChem CID: 14343 IUPAC Name: 5-methyl-3-phenyl-1,2-oxazole-4-carboxylic acid SMILES: CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)O

PubChem CID 14343
CAS 1136-45-4
Molecular Weight (g/mol) 203.197
MDL Number MFCD00003153
SMILES CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)O
Synonym 5-methyl-3-phenylisoxazole-4-carboxylic acid,4-isoxazolecarboxylic acid, 5-methyl-3-phenyl,5-methyl-3-phenyl-4-isoxazolecarboxylic acid,3-phenyl-5-methylisoxazol-4-carbonsaeure,3-phenyl-5-methylisoxazole-4-carboxylic acid,isoxazole-4-carboxylic acid, 5-methyl-3-phenyl,5-methyl-3-phenyl-isoxazole-4-carboxylic acid,5-methyl-3-phenylisoxazole-4-carboxylicacid,3-phenyl-5-methylisoxazol-4-carbonsaeure german,5-methyl-3-phenyl-4-isooxazolic acid
IUPAC Name 5-methyl-3-phenyl-1,2-oxazole-4-carboxylic acid
InChI Key PENHKTNQUJMHIR-UHFFFAOYSA-N
Molecular Formula C11H9NO3
3

3,5-Dimethylisoxazole-4-carboxylic acid, 99%

CAS: 2510-36-3 Molecular Formula: C6H7NO3 Molecular Weight (g/mol): 141.126 MDL Number: MFCD00051657 InChI Key: IJEUISLJVBUNRE-UHFFFAOYSA-N Synonym: 3,5-dimethylisoxazole-4-carboxylic acid,3,5-dimethylisoxasole-4-carboxylic acid,4-isoxazolecarboxylic acid, 3,5-dimethyl,dimethyl-1,2-oxazole-4-carboxylic acid,3,5-dimethyl-4-isoxazolecarboxylic acid,3,5-dimethyl-isoxazole-4-carboxylic acid,3,5-dimethylisoxazole-4-carboxylicacid,pubchem8774,akos pao-1555 PubChem CID: 75636 IUPAC Name: 3,5-dimethyl-1,2-oxazole-4-carboxylic acid SMILES: CC1=C(C(=NO1)C)C(=O)O

PubChem CID 75636
CAS 2510-36-3
Molecular Weight (g/mol) 141.126
MDL Number MFCD00051657
SMILES CC1=C(C(=NO1)C)C(=O)O
Synonym 3,5-dimethylisoxazole-4-carboxylic acid,3,5-dimethylisoxasole-4-carboxylic acid,4-isoxazolecarboxylic acid, 3,5-dimethyl,dimethyl-1,2-oxazole-4-carboxylic acid,3,5-dimethyl-4-isoxazolecarboxylic acid,3,5-dimethyl-isoxazole-4-carboxylic acid,3,5-dimethylisoxazole-4-carboxylicacid,pubchem8774,akos pao-1555
IUPAC Name 3,5-dimethyl-1,2-oxazole-4-carboxylic acid
InChI Key IJEUISLJVBUNRE-UHFFFAOYSA-N
Molecular Formula C6H7NO3
4

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

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
5

eMolecules​ 5-methyl-3-isoxazolecarbonitrile | 57351-99-2 | 1G | Purity: 95%

ChemBridge - BB | 5-methyl-3-isoxazolecarbonitrile | 1G | 57351-99-2 | MFCD09064940

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ENCOMPASS_PREFERRED
6

eMolecules​ 5-(4-Bromophenyl)isoxazole-3-propionic acid | 870703-99-4 | 5G

Chem-Impex | 5-(4-Bromophenyl)isoxazole-3-propionic acid | 5G | 870703-99-4 | MFCD11099458 | MW:290.14

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7

Sigma Aldrich Isoxazole

MilliporeSigma Sigma Organics products encompass a wide range of quality reagents, solvents, catalysts, and building blocks for organic synthesis. From benchtop discovery to process development and scale-up, Sigma Organics solutions are built to meet the needs of synthetic chemists.

ENCOMPASS
Boiling Point 93°C to 95°C (lit.)
Percent Purity 99%
Linear Formula C3H3NO
CAS 288-14-2
Molecular Weight (g/mol) 69.06
MDL Number MFCD00003149
Refractive Index n20/D 1.427 (literature)
Recommended Storage 2°C to 8°C
Molecular Formula C3H3NO
EINECS Number 206-018-7
Density 1.078 g/mL (at 25°C (literature))
8

5-Methyl-3-phenylisoxazole-4-carbonyl chloride, 99%, 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

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