N-cyclopentyl-N-[(2,5-dimethoxyphenyl)methyl]-5-propyl-1,2-oxazole-3-carboxamide

• ChemBase ID: 452616
• Molecular Formular: C21H28N2O4
• Molecular Mass: 372.45802
• Monoisotopic Mass: 372.20490739
• SMILES: c1(C(=O)N(Cc2c(ccc(c2)OC)OC)C2CCCC2)noc(c1)CCC
• Canonical SMILES: CCCc1onc(c1)C(=O)N(C1CCCC1)Cc1cc(OC)ccc1OC
• InChI: InChI=1S/C21H28N2O4/c1-4-7-18-13-19(22-27-18)21(24)23(16-8-5-6-9-16)14-15-12-17(25-2)10-11-20(15)26-3/h10-13,16H,4-9,14H2,1-3H3
• InChIKey: NVVHZBRRNHPXEA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopentyl-N-[(2,5-dimethoxyphenyl)methyl]-5-propyl-1,2-oxazole-3-carboxamide
• IUPAC Traditional name: N-cyclopentyl-N-[(2,5-dimethoxyphenyl)methyl]-5-propyl-1,2-oxazole-3-carboxamide
• Synonyms: N-cyclopentyl-N-(2,5-dimethoxybenzyl)-5-propyl-3-isoxazolecarboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.9521189
• LogD (pH = 7.4): 3.9521189
• Log P: 3.9521189
• Molar Refractivity: 104.2267 cm^3
• Polarizability: 39.563213 Å^3
• Polar Surface Area: 64.8 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 2.97
• LOG S: -4.45
• Polar Surface Area: 64.8 Å^2
• Rotatable Bonds: 8