N-[(1-{[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-1,2,5,6-tetrahydropyridin-3-yl)methyl]acetamide

• ChemBase ID: 338888
• Molecular Formular: C18H22N4O2
• Molecular Mass: 326.39288
• Monoisotopic Mass: 326.17427596
• SMILES: n1c(noc1CN1CC(=CCC1)CNC(=O)C)c1ccc(cc1)C
• Canonical SMILES: CC(=O)NCC1=CCCN(C1)Cc1onc(n1)c1ccc(cc1)C
• InChI: InChI=1S/C18H22N4O2/c1-13-5-7-16(8-6-13)18-20-17(24-21-18)12-22-9-3-4-15(11-22)10-19-14(2)23/h4-8H,3,9-12H2,1-2H3,(H,19,23)
• InChIKey: OSSVDIQKJPWMCJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(1-{[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-1,2,5,6-tetrahydropyridin-3-yl)methyl]acetamide
• IUPAC Traditional name: N-[(1-{[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-5,6-dihydro-2H-pyridin-3-yl)methyl]acetamide
• Synonyms: N-[(1-{[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-1,2,5,6-tetrahydropyridin-3-yl)methyl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.204702
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.8466561
• LogD (pH = 7.4): 2.0435188
• Log P: 2.134315
• Molar Refractivity: 105.2587 cm^3
• Polarizability: 35.813667 Å^3
• Polar Surface Area: 71.26 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 1.05
• LOG S: -2.48
• Polar Surface Area: 71.26 Å^2
• Rotatable Bonds: 5