4-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-1-[1-(propan-2-yl)-1H-pyrazole-4-carbonyl]piperidine

• ChemBase ID: 865682
• Molecular Formular: C20H22FN5O2
• Molecular Mass: 383.4193832
• Monoisotopic Mass: 383.17575319
• SMILES: c1(C(=O)N2CCC(c3oc(nn3)c3ccc(cc3)F)CC2)cn(nc1)C(C)C
• Canonical SMILES: Fc1ccc(cc1)c1nnc(o1)C1CCN(CC1)C(=O)c1cnn(c1)C(C)C
• InChI: InChI=1S/C20H22FN5O2/c1-13(2)26-12-16(11-22-26)20(27)25-9-7-15(8-10-25)19-24-23-18(28-19)14-3-5-17(21)6-4-14/h3-6,11-13,15H,7-10H2,1-2H3
• InChIKey: CECOPIOMCCMNRX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-1-[1-(propan-2-yl)-1H-pyrazole-4-carbonyl]piperidine
• IUPAC Traditional name: 4-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-1-(1-isopropylpyrazole-4-carbonyl)piperidine
• Synonyms: 4-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-1-[(1-isopropyl-1H-pyrazol-4-yl)carbonyl]piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.014148
• LogD (pH = 7.4): 2.01416
• Log P: 2.0141602
• Molar Refractivity: 125.4811 cm^3
• Polarizability: 38.58833 Å^3
• Polar Surface Area: 77.05 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 0.74
• LOG S: -2.63
• Polar Surface Area: 77.05 Å^2
• Rotatable Bonds: 4