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

• ChemBase ID: 316447
• Molecular Formular: C16H20FN3O2
• Molecular Mass: 305.3473032
• Monoisotopic Mass: 305.15395512
• SMILES: n1c(noc1COC)CN1C(c2ccc(cc2)F)CCCC1
• Canonical SMILES: COCc1onc(n1)CN1CCCCC1c1ccc(cc1)F
• InChI: InChI=1S/C16H20FN3O2/c1-21-11-16-18-15(19-22-16)10-20-9-3-2-4-14(20)12-5-7-13(17)8-6-12/h5-8,14H,2-4,9-11H2,1H3
• InChIKey: RTCWQFPDNRSRQX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.5621786
• LogD (pH = 7.4): 2.8967907
• Log P: 2.903268
• Molar Refractivity: 82.2628 cm^3
• Polarizability: 30.942417 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: 2.46
• LOG S: -2.52
• Polar Surface Area: 51.39 Å^2
• Rotatable Bonds: 5