2-{4-[3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}acetamide

• ChemBase ID: 741793
• Molecular Formular: C14H18N6O2
• Molecular Mass: 302.33172
• Monoisotopic Mass: 302.14912385
• SMILES: n1c(noc1C1CCN(CC(=O)N)CC1)c1nnc(cc1)C
• Canonical SMILES: NC(=O)CN1CCC(CC1)c1onc(n1)c1ccc(nn1)C
• InChI: InChI=1S/C14H18N6O2/c1-9-2-3-11(18-17-9)13-16-14(22-19-13)10-4-6-20(7-5-10)8-12(15)21/h2-3,10H,4-8H2,1H3,(H2,15,21)
• InChIKey: BKYBINIGMVOVRN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{4-[3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}acetamide
• IUPAC Traditional name: 2-{4-[3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}acetamide
• Synonyms: 2-{4-[3-(6-methyl-3-pyridazinyl)-1,2,4-oxadiazol-5-yl]-1-piperidinyl}acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.635146
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): -1.5851586
• LogD (pH = 7.4): -0.36493966
• Log P: -0.2681145
• Molar Refractivity: 92.0849 cm^3
• Polarizability: 30.579058 Å^3
• Polar Surface Area: 111.03 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 1
• Log P: -0.02
• LOG S: -2.7
• Polar Surface Area: 111.03 Å^2
• Rotatable Bonds: 4