N-[4-(1H-imidazol-1-yl)phenyl]-4-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide

• ChemBase ID: 768766
• Molecular Formular: C20H24N6O2
• Molecular Mass: 380.44356
• Monoisotopic Mass: 380.19607404
• SMILES: n1c(noc1C1CCN(C(=O)Nc2ccc(n3cncc3)cc2)CC1)C(C)C
• Canonical SMILES: O=C(N1CCC(CC1)c1onc(n1)C(C)C)Nc1ccc(cc1)n1cncc1
• InChI: InChI=1S/C20H24N6O2/c1-14(2)18-23-19(28-24-18)15-7-10-25(11-8-15)20(27)22-16-3-5-17(6-4-16)26-12-9-21-13-26/h3-6,9,12-15H,7-8,10-11H2,1-2H3,(H,22,27)
• InChIKey: WXWPWJCFHFXKFP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[4-(1H-imidazol-1-yl)phenyl]-4-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
• IUPAC Traditional name: N-[4-(imidazol-1-yl)phenyl]-4-(3-isopropyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
• Synonyms: N-[4-(1H-imidazol-1-yl)phenyl]-4-(3-isopropyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.810129
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.5795107
• LogD (pH = 7.4): 3.1135938
• Log P: 3.1494844
• Molar Refractivity: 118.0183 cm^3
• Polarizability: 40.223354 Å^3
• Polar Surface Area: 89.08 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: 1.59
• LOG S: -3.33
• Polar Surface Area: 89.08 Å^2
• Rotatable Bonds: 4