3-(4-fluorophenyl)-N-(1,2-oxazol-5-ylmethyl)-3-phenylpropanamide

• ChemBase ID: 345202
• Molecular Formular: C19H17FN2O2
• Molecular Mass: 324.3488832
• Monoisotopic Mass: 324.12740601
• SMILES: n1oc(cc1)CNC(=O)CC(c1ccc(cc1)F)c1ccccc1
• Canonical SMILES: Fc1ccc(cc1)C(c1ccccc1)CC(=O)NCc1ccno1
• InChI: InChI=1S/C19H17FN2O2/c20-16-8-6-15(7-9-16)18(14-4-2-1-3-5-14)12-19(23)21-13-17-10-11-22-24-17/h1-11,18H,12-13H2,(H,21,23)
• InChIKey: FATWUBIBDXDXHZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(4-fluorophenyl)-N-(1,2-oxazol-5-ylmethyl)-3-phenylpropanamide
• IUPAC Traditional name: 3-(4-fluorophenyl)-N-(1,2-oxazol-5-ylmethyl)-3-phenylpropanamide
• Synonyms: 3-(4-fluorophenyl)-N-(isoxazol-5-ylmethyl)-3-phenylpropanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.917266
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.0448406
• LogD (pH = 7.4): 3.0448396
• Log P: 3.0448408
• Molar Refractivity: 89.4776 cm^3
• Polarizability: 33.729164 Å^3
• Polar Surface Area: 55.13 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.61
• LOG S: -3.79
• Polar Surface Area: 55.13 Å^2
• Rotatable Bonds: 6