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

• ChemBase ID: 430288
• Molecular Formular: C20H24FN5O
• Molecular Mass: 369.4358632
• Monoisotopic Mass: 369.19648863
• SMILES: n1(nc(cc1C)C)c1c(CN2CC(c3nc(on3)C)CCC2)cc(cc1)F
• Canonical SMILES: Fc1ccc(c(c1)CN1CCCC(C1)c1noc(n1)C)n1nc(cc1C)C
• InChI: InChI=1S/C20H24FN5O/c1-13-9-14(2)26(23-13)19-7-6-18(21)10-17(19)12-25-8-4-5-16(11-25)20-22-15(3)27-24-20/h6-7,9-10,16H,4-5,8,11-12H2,1-3H3
• InChIKey: IGDJMDZYWTZCRX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.9695177
• LogD (pH = 7.4): 2.720547
• Log P: 3.308132
• Molar Refractivity: 104.2434 cm^3
• Polarizability: 38.824146 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: 2.77
• LOG S: -3.25
• Polar Surface Area: 59.98 Å^2
• Rotatable Bonds: 4