1-benzyl-4-{[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]methyl}piperidine

• ChemBase ID: 488825
• Molecular Formular: C19H25N3O2
• Molecular Mass: 327.4207
• Monoisotopic Mass: 327.19467706
• SMILES: n1c(noc1CC1CCN(Cc2ccccc2)CC1)C1COCC1
• Canonical SMILES: C1OCC(C1)c1noc(n1)CC1CCN(CC1)Cc1ccccc1
• InChI: InChI=1S/C19H25N3O2/c1-2-4-16(5-3-1)13-22-9-6-15(7-10-22)12-18-20-19(21-24-18)17-8-11-23-14-17/h1-5,15,17H,6-14H2
• InChIKey: WYGKEUOUNADHAA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.2435859
• LogD (pH = 7.4): 1.4824064
• Log P: 2.8851268
• Molar Refractivity: 94.6489 cm^3
• Polarizability: 35.887543 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: 1.84
• LOG S: -2.15
• Polar Surface Area: 51.39 Å^2
• Rotatable Bonds: 5