5-ethoxy-2-phenyl-1,3-oxazole-4-carboxamide

• ChemBase ID: 804292
• Molecular Formular: C12H12N2O3
• Molecular Mass: 232.23528
• Monoisotopic Mass: 232.08479225
• SMILES: o1c(nc(c1OCC)C(=O)N)c1ccccc1
• Canonical SMILES: CCOc1oc(nc1C(=O)N)c1ccccc1
• InChI: InChI=1S/C12H12N2O3/c1-2-16-12-9(10(13)15)14-11(17-12)8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H2,13,15)
• InChIKey: VADKFYFJRQGHIJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-ethoxy-2-phenyl-1,3-oxazole-4-carboxamide
• IUPAC Traditional name: 5-ethoxy-2-phenyl-1,3-oxazole-4-carboxamide
• Synonyms: 5-ETHOXY-2-PHENYLOXAZOLE-4-CARBOXAMIDE

Database IDs

• CAS Number: 128242-87-5

CALCULATED PROPERTIES

• Acid pKa: 11.6886015
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.464826
• LogD (pH = 7.4): 1.4648457
• Log P: 1.4648257
• Molar Refractivity: 71.0405 cm^3
• Polarizability: 23.809624 Å^3
• Polar Surface Area: 78.35 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%