4-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)amino]-N-phenylpiperidine-1-carboxamide

• ChemBase ID: 762276
• Molecular Formular: C18H25N5O2
• Molecular Mass: 343.4234
• Monoisotopic Mass: 343.20082507
• SMILES: o1c(nnc1C(C)(C)C)NC1CCN(C(=O)Nc2ccccc2)CC1
• Canonical SMILES: O=C(N1CCC(CC1)Nc1nnc(o1)C(C)(C)C)Nc1ccccc1
• InChI: InChI=1S/C18H25N5O2/c1-18(2,3)15-21-22-16(25-15)19-14-9-11-23(12-10-14)17(24)20-13-7-5-4-6-8-13/h4-8,14H,9-12H2,1-3H3,(H,19,22)(H,20,24)
• InChIKey: TWNXILPQSAIZQF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)amino]-N-phenylpiperidine-1-carboxamide
• IUPAC Traditional name: 4-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)amino]-N-phenylpiperidine-1-carboxamide
• Synonyms: 4-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)amino]-N-phenylpiperidine-1-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.286223
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 2.195713
• LogD (pH = 7.4): 2.1956606
• Log P: 2.1957142
• Molar Refractivity: 99.6479 cm^3
• Polarizability: 36.131115 Å^3
• Polar Surface Area: 83.29 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 2.0
• LOG S: -4.21
• Polar Surface Area: 83.29 Å^2
• Rotatable Bonds: 4