ethyl 5-ethoxy-2-phenyl-1,3-oxazole-4-carboxylate

• ChemBase ID: 804431
• Molecular Formular: C14H15NO4
• Molecular Mass: 261.2732
• Monoisotopic Mass: 261.10010797
• SMILES: o1c(nc(c1OCC)C(=O)OCC)c1ccccc1
• Canonical SMILES: CCOc1oc(nc1C(=O)OCC)c1ccccc1
• InChI: InChI=1S/C14H15NO4/c1-3-17-13(16)11-14(18-4-2)19-12(15-11)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3
• InChIKey: ZRVCOYITILDISC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 5-ethoxy-2-phenyl-1,3-oxazole-4-carboxylate
• IUPAC Traditional name: ethyl 5-ethoxy-2-phenyl-1,3-oxazole-4-carboxylate
• Synonyms: ETHYL 5-ETHOXY-2-PHENYLOXAZOLE-4-CARBOXYLATE

Database IDs

• CAS Number: 32418-03-4

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.9744704
• LogD (pH = 7.4): 2.9744704
• Log P: 2.7744703
• Molar Refractivity: 78.736 cm^3
• Polarizability: 27.236786 Å^3
• Polar Surface Area: 61.56 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%