N-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-1-(furan-2-carbonyl)piperidin-3-amine

• ChemBase ID: 333584
• Molecular Formular: C16H20N4O3
• Molecular Mass: 316.355
• Monoisotopic Mass: 316.15354052
• SMILES: o1c(nnc1C1CCC1)NC1CN(C(=O)c2occc2)CCC1
• Canonical SMILES: O=C(c1ccco1)N1CCCC(C1)Nc1nnc(o1)C1CCC1
• InChI: InChI=1S/C16H20N4O3/c21-15(13-7-3-9-22-13)20-8-2-6-12(10-20)17-16-19-18-14(23-16)11-4-1-5-11/h3,7,9,11-12H,1-2,4-6,8,10H2,(H,17,19)
• InChIKey: OOGQBYMFGFVLIN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-1-(furan-2-carbonyl)piperidin-3-amine
• IUPAC Traditional name: N-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-1-(furan-2-carbonyl)piperidin-3-amine
• Synonyms: N-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-1-(2-furoyl)piperidin-3-amine

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.72558
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.0846641
• LogD (pH = 7.4): 1.0844728
• Log P: 1.0846678
• Molar Refractivity: 85.6545 cm^3
• Polarizability: 31.012487 Å^3
• Polar Surface Area: 84.4 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 1.25
• LOG S: -2.63
• Polar Surface Area: 84.4 Å^2
• Rotatable Bonds: 4