N-(1,3-dimethyl-1H-pyrazol-4-yl)-4-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide

• ChemBase ID: 387731
• Molecular Formular: C19H21FN6O2
• Molecular Mass: 384.4074432
• Monoisotopic Mass: 384.17100216
• SMILES: c1(c(nn(c1)C)C)NC(=O)N1CCC(c2oc(nn2)c2ccc(cc2)F)CC1
• Canonical SMILES: Fc1ccc(cc1)c1nnc(o1)C1CCN(CC1)C(=O)Nc1cn(nc1C)C
• InChI: InChI=1S/C19H21FN6O2/c1-12-16(11-25(2)24-12)21-19(27)26-9-7-14(8-10-26)18-23-22-17(28-18)13-3-5-15(20)6-4-13/h3-6,11,14H,7-10H2,1-2H3,(H,21,27)
• InChIKey: WZASVCLSCJXGLU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(1,3-dimethyl-1H-pyrazol-4-yl)-4-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide
• IUPAC Traditional name: N-(1,3-dimethylpyrazol-4-yl)-4-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide
• Synonyms: N-(1,3-dimethyl-1H-pyrazol-4-yl)-4-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.213171
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.4254321
• LogD (pH = 7.4): 1.4256054
• Log P: 1.4256718
• Molar Refractivity: 125.3665 cm^3
• Polarizability: 38.028385 Å^3
• Polar Surface Area: 89.08 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 0.81
• LOG S: -2.69
• Polar Surface Area: 89.08 Å^2
• Rotatable Bonds: 3