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

• ChemBase ID: 863549
• Molecular Formular: C18H23FN4O2
• Molecular Mass: 346.3992232
• Monoisotopic Mass: 346.18050422
• SMILES: c1(nc(on1)CNC(=O)CC1CCN(CC1)CC)c1c(F)cccc1
• Canonical SMILES: CCN1CCC(CC1)CC(=O)NCc1onc(n1)c1ccccc1F
• InChI: InChI=1S/C18H23FN4O2/c1-2-23-9-7-13(8-10-23)11-16(24)20-12-17-21-18(22-25-17)14-5-3-4-6-15(14)19/h3-6,13H,2,7-12H2,1H3,(H,20,24)
• InChIKey: LJVXCQKSDMQDET-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(1-ethylpiperidin-4-yl)-N-{[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl}acetamide
• IUPAC Traditional name: 2-(1-ethylpiperidin-4-yl)-N-{[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl}acetamide
• Synonyms: 2-(1-ethyl-4-piperidinyl)-N-{[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl}acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.482397
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.85548687
• LogD (pH = 7.4): 0.781462
• Log P: 2.4372814
• Molar Refractivity: 104.5958 cm^3
• Polarizability: 35.823578 Å^3
• Polar Surface Area: 71.26 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 2.18
• LOG S: -3.59
• Polar Surface Area: 71.26 Å^2
• Rotatable Bonds: 6