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

• ChemBase ID: 429281
• Molecular Formular: C21H22N2O2
• Molecular Mass: 334.41158
• Monoisotopic Mass: 334.16812795
• SMILES: C(=O)(CC(c1c(C)cccc1)c1ccccc1)N(Cc1nocc1)C
• Canonical SMILES: O=C(N(Cc1nocc1)C)CC(c1ccccc1C)c1ccccc1
• InChI: InChI=1S/C21H22N2O2/c1-16-8-6-7-11-19(16)20(17-9-4-3-5-10-17)14-21(24)23(2)15-18-12-13-25-22-18/h3-13,20H,14-15H2,1-2H3
• InChIKey: RQGAHEMIOTXIDK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.800707
• LogD (pH = 7.4): 3.800707
• Log P: 3.800707
• Molar Refractivity: 98.7994 cm^3
• Polarizability: 37.6773 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: 2.93
• LOG S: -4.67
• Polar Surface Area: 46.34 Å^2
• Rotatable Bonds: 6