ethyl 5-methyl-1,3-oxazole-4-carboxylate

• ChemBase ID: 248408
• Molecular Formular: C7H9NO3
• Molecular Mass: 155.15126
• Monoisotopic Mass: 155.05824315
• SMILES: c1(ncoc1C)C(=O)OCC
• Canonical SMILES: CCOC(=O)c1ncoc1C
• InChI: InChI=1S/C7H9NO3/c1-3-10-7(9)6-5(2)11-4-8-6/h4H,3H2,1-2H3
• InChIKey: JJBNOPBTDKFKLT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 5-methyl-1,3-oxazole-4-carboxylate
• IUPAC Traditional name: ethyl 5-methyl-1,3-oxazole-4-carboxylate
• Synonyms: ethyl 5-methyl-1,3-oxazole-4-carboxylate; ETHYL 5-METHYLOXAZOLE-4-CARBOXYLATE

Database IDs

• CAS Number: 32968-44-8
• MDL Number: MFCD00105462
• PubChem SID: 164304318
• PubChem CID: 12214101

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.8608337
• LogD (pH = 7.4): 0.86083376
• Log P: 0.6608338
• Molar Refractivity: 38.319 cm^3
• Polarizability: 14.442587 Å^3
• Polar Surface Area: 52.33 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.341

Product Information

• Purity: 95%; 98%