4-(4-methoxyphenoxy)-1-[3-(2-phenylpropyl)-1,2-oxazole-5-carbonyl]piperidine

• ChemBase ID: 379510
• Molecular Formular: C25H28N2O4
• Molecular Mass: 420.50082
• Monoisotopic Mass: 420.20490739
• SMILES: c1(C(=O)N2CCC(CC2)Oc2ccc(cc2)OC)cc(no1)CC(c1ccccc1)C
• Canonical SMILES: COc1ccc(cc1)OC1CCN(CC1)C(=O)c1onc(c1)CC(c1ccccc1)C
• InChI: InChI=1S/C25H28N2O4/c1-18(19-6-4-3-5-7-19)16-20-17-24(31-26-20)25(28)27-14-12-23(13-15-27)30-22-10-8-21(29-2)9-11-22/h3-11,17-18,23H,12-16H2,1-2H3
• InChIKey: WRSVANPOXZBNES-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(4-methoxyphenoxy)-1-[3-(2-phenylpropyl)-1,2-oxazole-5-carbonyl]piperidine
• IUPAC Traditional name: 4-(4-methoxyphenoxy)-1-[3-(2-phenylpropyl)-1,2-oxazole-5-carbonyl]piperidine
• Synonyms: 4-(4-methoxyphenoxy)-1-{[3-(2-phenylpropyl)-5-isoxazolyl]carbonyl}piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.7476218
• LogD (pH = 7.4): 3.7476225
• Log P: 3.7476225
• Molar Refractivity: 119.1597 cm^3
• Polarizability: 45.384525 Å^3
• Polar Surface Area: 64.8 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 3.74
• LOG S: -5.69
• Polar Surface Area: 64.8 Å^2
• Rotatable Bonds: 6