ethyl 5-methyl-1,3-oxazole-2-carboxylate

• ChemBase ID: 804034
• Molecular Formular: C7H9NO3
• Molecular Mass: 155.15126
• Monoisotopic Mass: 155.05824315
• SMILES: o1c(ncc1C)C(=O)OCC
• Canonical SMILES: CCOC(=O)c1ncc(o1)C
• InChI: InChI=1S/C7H9NO3/c1-3-10-7(9)6-8-4-5(2)11-6/h4H,3H2,1-2H3
• InChIKey: AVQLWUGRGBPYLN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 5-methyl-1,3-oxazole-2-carboxylate
• IUPAC Traditional name: ethyl 5-methyl-1,3-oxazole-2-carboxylate
• Synonyms: ETHYL 5-METHYLOXAZOLE-2-CARBOXYLATE

Database IDs

• CAS Number: 124999-43-5

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.85252833
• LogD (pH = 7.4): 0.85252833
• Log P: 0.65252835
• Molar Refractivity: 38.1682 cm^3
• Polarizability: 14.446215 Å^3
• Polar Surface Area: 52.33 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%