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

• ChemBase ID: 537133
• Molecular Formular: C20H19FN2O2
• Molecular Mass: 338.3754632
• Monoisotopic Mass: 338.14305608
• SMILES: C(=O)(CC(c1c(F)cccc1)c1ccccc1)N(Cc1oncc1)C
• Canonical SMILES: O=C(N(Cc1ccno1)C)CC(c1ccccc1F)c1ccccc1
• InChI: InChI=1S/C20H19FN2O2/c1-23(14-16-11-12-22-25-16)20(24)13-18(15-7-3-2-4-8-15)17-9-5-6-10-19(17)21/h2-12,18H,13-14H2,1H3
• InChIKey: YHNIRRVSCBQJCI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.2685165
• LogD (pH = 7.4): 3.268517
• Log P: 3.268517
• Molar Refractivity: 94.3743 cm^3
• Polarizability: 35.566647 Å^3
• Polar Surface Area: 46.34 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.62
• LOG S: -4.5
• Polar Surface Area: 46.34 Å^2
• Rotatable Bonds: 6