N-[2-(1-benzylpiperidin-4-yl)ethyl]-5-cyclobutyl-1,3,4-oxadiazol-2-amine

• ChemBase ID: 618913
• Molecular Formular: C20H28N4O
• Molecular Mass: 340.46252
• Monoisotopic Mass: 340.22631154
• SMILES: o1c(nnc1NCCC1CCN(Cc2ccccc2)CC1)C1CCC1
• Canonical SMILES: C1CC(C1)c1nnc(o1)NCCC1CCN(CC1)Cc1ccccc1
• InChI: InChI=1S/C20H28N4O/c1-2-5-17(6-3-1)15-24-13-10-16(11-14-24)9-12-21-20-23-22-19(25-20)18-7-4-8-18/h1-3,5-6,16,18H,4,7-15H2,(H,21,23)
• InChIKey: ZDYPGBAOCWNUMN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(1-benzylpiperidin-4-yl)ethyl]-5-cyclobutyl-1,3,4-oxadiazol-2-amine
• IUPAC Traditional name: N-[2-(1-benzylpiperidin-4-yl)ethyl]-5-cyclobutyl-1,3,4-oxadiazol-2-amine
• Synonyms: N-[2-(1-benzylpiperidin-4-yl)ethyl]-5-cyclobutyl-1,3,4-oxadiazol-2-amine

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.110512
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.30818868
• LogD (pH = 7.4): 1.078512
• Log P: 3.0376382
• Molar Refractivity: 102.6513 cm^3
• Polarizability: 38.253822 Å^3
• Polar Surface Area: 54.19 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 3.01
• LOG S: -4.26
• Polar Surface Area: 54.19 Å^2
• Rotatable Bonds: 7