1-[3-(diphenylmethyl)-1,2-oxazole-5-carbonyl]-4-(4-fluorophenoxy)piperidine

• ChemBase ID: 335830
• Molecular Formular: C28H25FN2O3
• Molecular Mass: 456.5081032
• Monoisotopic Mass: 456.18492089
• SMILES: c1(cc(no1)C(c1ccccc1)c1ccccc1)C(=O)N1CCC(CC1)Oc1ccc(F)cc1
• Canonical SMILES: Fc1ccc(cc1)OC1CCN(CC1)C(=O)c1onc(c1)C(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C28H25FN2O3/c29-22-11-13-23(14-12-22)33-24-15-17-31(18-16-24)28(32)26-19-25(30-34-26)27(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-14,19,24,27H,15-18H2
• InChIKey: VRFVQGYFIFCPTJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 4.993198
• LogD (pH = 7.4): 4.993198
• Log P: 4.993198
• Molar Refractivity: 128.4328 cm^3
• Polarizability: 48.49929 Å^3
• Polar Surface Area: 55.57 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 4.59
• LOG S: -7.28
• Polar Surface Area: 55.57 Å^2
• Rotatable Bonds: 6