N-cyclopentyl-N-[(2-methoxyphenyl)methyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide

• ChemBase ID: 855377
• Molecular Formular: C21H28N2O3
• Molecular Mass: 356.45862
• Monoisotopic Mass: 356.20999277
• SMILES: c1(C(=O)N(Cc2c(OC)cccc2)C2CCCC2)cc(no1)CC(C)C
• Canonical SMILES: COc1ccccc1CN(C(=O)c1onc(c1)CC(C)C)C1CCCC1
• InChI: InChI=1S/C21H28N2O3/c1-15(2)12-17-13-20(26-22-17)21(24)23(18-9-5-6-10-18)14-16-8-4-7-11-19(16)25-3/h4,7-8,11,13,15,18H,5-6,9-10,12,14H2,1-3H3
• InChIKey: PZYAGYMKGWCMKV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopentyl-N-[(2-methoxyphenyl)methyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide
• IUPAC Traditional name: N-cyclopentyl-N-[(2-methoxyphenyl)methyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide
• Synonyms: N-cyclopentyl-3-isobutyl-N-(2-methoxybenzyl)-5-isoxazolecarboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 4.0407815
• LogD (pH = 7.4): 4.0407825
• Log P: 4.0407825
• Molar Refractivity: 102.1063 cm^3
• Polarizability: 38.870556 Å^3
• Polar Surface Area: 55.57 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.15
• LOG S: -4.49
• Polar Surface Area: 55.57 Å^2
• Rotatable Bonds: 7