1-benzyl-4-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]-4-phenylpiperidine

• ChemBase ID: 691594
• Molecular Formular: C24H27N3O2
• Molecular Mass: 389.49008
• Monoisotopic Mass: 389.21032712
• SMILES: n1c(C2(CCN(CC2)Cc2ccccc2)c2ccccc2)onc1C1COCC1
• Canonical SMILES: C1OCC(C1)c1noc(n1)C1(CCN(CC1)Cc1ccccc1)c1ccccc1
• InChI: InChI=1S/C24H27N3O2/c1-3-7-19(8-4-1)17-27-14-12-24(13-15-27,21-9-5-2-6-10-21)23-25-22(26-29-23)20-11-16-28-18-20/h1-10,20H,11-18H2
• InChIKey: BBRHTJUDZXKCSU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-benzyl-4-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]-4-phenylpiperidine
• IUPAC Traditional name: 1-benzyl-4-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]-4-phenylpiperidine
• Synonyms: 1-benzyl-4-phenyl-4-[3-(tetrahydrofuran-3-yl)-1,2,4-oxadiazol-5-yl]piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.4374788
• LogD (pH = 7.4): 3.200405
• Log P: 4.44068
• Molar Refractivity: 125.1642 cm^3
• Polarizability: 43.635418 Å^3
• Polar Surface Area: 51.39 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 2.92
• LOG S: -3.52
• Polar Surface Area: 51.39 Å^2
• Rotatable Bonds: 5