1-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-3-(3-methylphenyl)piperidine

• ChemBase ID: 400628
• Molecular Formular: C18H23N3O
• Molecular Mass: 297.39472
• Monoisotopic Mass: 297.18411237
• SMILES: c1(oc(nn1)C1CCC1)N1CC(c2cc(ccc2)C)CCC1
• Canonical SMILES: Cc1cccc(c1)C1CCCN(C1)c1nnc(o1)C1CCC1
• InChI: InChI=1S/C18H23N3O/c1-13-5-2-8-15(11-13)16-9-4-10-21(12-16)18-20-19-17(22-18)14-6-3-7-14/h2,5,8,11,14,16H,3-4,6-7,9-10,12H2,1H3
• InChIKey: XJGMJXDVHVLBGN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-3-(3-methylphenyl)piperidine
• IUPAC Traditional name: 1-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-3-(3-methylphenyl)piperidine
• Synonyms: 1-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-3-(3-methylphenyl)piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.956973
• LogD (pH = 7.4): 3.9569733
• Log P: 3.9569733
• Molar Refractivity: 89.0762 cm^3
• Polarizability: 32.890064 Å^3
• Polar Surface Area: 42.16 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.27
• LOG S: -5.73
• Polar Surface Area: 42.16 Å^2
• Rotatable Bonds: 3