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

• ChemBase ID: 390838
• Molecular Formular: C20H26N2O2
• Molecular Mass: 326.43264
• Monoisotopic Mass: 326.19942808
• SMILES: c1(C(=O)NC2CCCCCC2)cc(no1)CC(c1ccccc1)C
• Canonical SMILES: O=C(c1onc(c1)CC(c1ccccc1)C)NC1CCCCCC1
• InChI: InChI=1S/C20H26N2O2/c1-15(16-9-5-4-6-10-16)13-18-14-19(24-22-18)20(23)21-17-11-7-2-3-8-12-17/h4-6,9-10,14-15,17H,2-3,7-8,11-13H2,1H3,(H,21,23)
• InChIKey: YMZTXIMTBCPHLM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.587533
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 4.2732444
• LogD (pH = 7.4): 4.2732205
• Log P: 4.273246
• Molar Refractivity: 95.4308 cm^3
• Polarizability: 36.27441 Å^3
• Polar Surface Area: 55.13 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 4.85
• LOG S: -5.81
• Polar Surface Area: 55.13 Å^2
• Rotatable Bonds: 5