6-chloro-N-{[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl}-2-methylimidazo[1,2-a]pyridine-3-carboxamide

• ChemBase ID: 371384
• Molecular Formular: C14H14ClN5O3
• Molecular Mass: 335.74566
• Monoisotopic Mass: 335.07851701
• SMILES: n12c(c(nc1ccc(c2)Cl)C)C(=O)NCc1nc(on1)COC
• Canonical SMILES: COCc1onc(n1)CNC(=O)c1c(C)nc2n1cc(Cl)cc2
• InChI: InChI=1S/C14H14ClN5O3/c1-8-13(20-6-9(15)3-4-11(20)17-8)14(21)16-5-10-18-12(7-22-2)23-19-10/h3-4,6H,5,7H2,1-2H3,(H,16,21)
• InChIKey: LJWUOEYIBNSDJX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-chloro-N-{[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl}-2-methylimidazo[1,2-a]pyridine-3-carboxamide
• IUPAC Traditional name: 6-chloro-N-{[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl}-2-methylimidazo[1,2-a]pyridine-3-carboxamide
• Synonyms: 6-chloro-N-{[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl}-2-methylimidazo[1,2-a]pyridine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.48721
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.52630514
• LogD (pH = 7.4): 0.5895142
• Log P: 0.59038544
• Molar Refractivity: 84.8188 cm^3
• Polarizability: 30.87055 Å^3
• Polar Surface Area: 94.55 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 1.05
• LOG S: -2.54
• Polar Surface Area: 94.55 Å^2
• Rotatable Bonds: 5