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

• ChemBase ID: 500930
• Molecular Formular: C16H20FN3O2
• Molecular Mass: 305.3473032
• Monoisotopic Mass: 305.15395512
• SMILES: n1c(onc1Cc1c(F)cccc1)CN1CC(OC)CCC1
• Canonical SMILES: COC1CCCN(C1)Cc1onc(n1)Cc1ccccc1F
• InChI: InChI=1S/C16H20FN3O2/c1-21-13-6-4-8-20(10-13)11-16-18-15(19-22-16)9-12-5-2-3-7-14(12)17/h2-3,5,7,13H,4,6,8-11H2,1H3
• InChIKey: NYZBQWFTOYAVOE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.4731747
• LogD (pH = 7.4): 2.5990446
• Log P: 2.6738093
• Molar Refractivity: 82.3612 cm^3
• Polarizability: 30.870567 Å^3
• Polar Surface Area: 51.39 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.86
• LOG S: -1.78
• Polar Surface Area: 51.39 Å^2
• Rotatable Bonds: 4