ethyl 2-[4-(benzyloxy)phenyl]-1,3-oxazole-4-carboxylate

• ChemBase ID: 808909
• Molecular Formular: C19H17NO4
• Molecular Mass: 323.34258
• Monoisotopic Mass: 323.11575803
• SMILES: o1c(nc(c1)C(=O)OCC)c1ccc(cc1)OCc1ccccc1
• Canonical SMILES: CCOC(=O)c1coc(n1)c1ccc(cc1)OCc1ccccc1
• InChI: InChI=1S/C19H17NO4/c1-2-22-19(21)17-13-24-18(20-17)15-8-10-16(11-9-15)23-12-14-6-4-3-5-7-14/h3-11,13H,2,12H2,1H3
• InChIKey: JABQWMPQTGFJOY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 2-[4-(benzyloxy)phenyl]-1,3-oxazole-4-carboxylate
• IUPAC Traditional name: ethyl 2-[4-(benzyloxy)phenyl]-1,3-oxazole-4-carboxylate
• Synonyms: 2-(4-BENZYLOXY-PHENYL)-OXAZOLE-4-CARBOXYLIC ACID ETHYL ESTER

Database IDs

• CAS Number: 886366-88-7

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 4.2528443
• LogD (pH = 7.4): 4.2528443
• Log P: 4.0528445
• Molar Refractivity: 99.3467 cm^3
• Polarizability: 34.962276 Å^3
• Polar Surface Area: 61.56 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%