N-benzyl-N-(cyclopropylmethyl)-3-(2-phenylpropyl)-1,2-oxazole-5-carboxamide

• ChemBase ID: 384869
• Molecular Formular: C24H26N2O2
• Molecular Mass: 374.47544
• Monoisotopic Mass: 374.19942808
• SMILES: c1(C(=O)N(CC2CC2)Cc2ccccc2)cc(no1)CC(c1ccccc1)C
• Canonical SMILES: CC(c1ccccc1)Cc1noc(c1)C(=O)N(Cc1ccccc1)CC1CC1
• InChI: InChI=1S/C24H26N2O2/c1-18(21-10-6-3-7-11-21)14-22-15-23(28-25-22)24(27)26(17-20-12-13-20)16-19-8-4-2-5-9-19/h2-11,15,18,20H,12-14,16-17H2,1H3
• InChIKey: KMSFUMVCRAIXDR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-benzyl-N-(cyclopropylmethyl)-3-(2-phenylpropyl)-1,2-oxazole-5-carboxamide
• IUPAC Traditional name: N-benzyl-N-(cyclopropylmethyl)-3-(2-phenylpropyl)-1,2-oxazole-5-carboxamide
• Synonyms: N-benzyl-N-(cyclopropylmethyl)-3-(2-phenylpropyl)-5-isoxazolecarboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.758132
• LogD (pH = 7.4): 4.758133
• Log P: 4.758133
• Molar Refractivity: 111.2669 cm^3
• Polarizability: 42.187775 Å^3
• Polar Surface Area: 46.34 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 4.88
• LOG S: -5.66
• Polar Surface Area: 46.34 Å^2
• Rotatable Bonds: 8