1-{[1-(4-fluorophenyl)-3,5-dimethyl-1H-pyrazol-4-yl]methyl}-2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine

• ChemBase ID: 464205
• Molecular Formular: C20H24FN5O
• Molecular Mass: 369.4358632
• Monoisotopic Mass: 369.19648863
• SMILES: c1(c(n(nc1C)c1ccc(cc1)F)C)CN1C(c2nc(no2)C)CCCC1
• Canonical SMILES: Fc1ccc(cc1)n1nc(c(c1C)CN1CCCCC1c1onc(n1)C)C
• InChI: InChI=1S/C20H24FN5O/c1-13-18(14(2)26(23-13)17-9-7-16(21)8-10-17)12-25-11-5-4-6-19(25)20-22-15(3)24-27-20/h7-10,19H,4-6,11-12H2,1-3H3
• InChIKey: NNXUQSQALHBDRL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.2087982
• LogD (pH = 7.4): 3.4852433
• Log P: 3.5983949
• Molar Refractivity: 103.9874 cm^3
• Polarizability: 38.899456 Å^3
• Polar Surface Area: 59.98 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: 2.84
• LOG S: -3.31
• Polar Surface Area: 59.98 Å^2
• Rotatable Bonds: 4