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

• ChemBase ID: 859668
• Molecular Formular: C22H24FN3O
• Molecular Mass: 365.4438632
• Monoisotopic Mass: 365.19034062
• SMILES: n1c(onc1Cc1cc(F)ccc1)CN1CC(c2cc(ccc2)C)CCC1
• Canonical SMILES: Cc1cccc(c1)C1CCCN(C1)Cc1onc(n1)Cc1cccc(c1)F
• InChI: InChI=1S/C22H24FN3O/c1-16-5-2-7-18(11-16)19-8-4-10-26(14-19)15-22-24-21(25-27-22)13-17-6-3-9-20(23)12-17/h2-3,5-7,9,11-12,19H,4,8,10,13-15H2,1H3
• InChIKey: PVLCAANEUKDCOQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.0387232
• LogD (pH = 7.4): 4.738461
• Log P: 5.190259
• Molar Refractivity: 105.8563 cm^3
• Polarizability: 39.565266 Å^3
• Polar Surface Area: 42.16 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: false

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 4.56
• LOG S: -5.1
• Polar Surface Area: 42.16 Å^2
• Rotatable Bonds: 5