N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-2-methylimidazo[1,2-a]pyrimidine-3-carboxamide

• ChemBase ID: 677938
• Molecular Formular: C13H14N6O2
• Molecular Mass: 286.28926
• Monoisotopic Mass: 286.11782372
• SMILES: c1(n2c(nc1C)nccc2)C(=O)NCc1nc(no1)CC
• Canonical SMILES: CCc1noc(n1)CNC(=O)c1c(C)nc2n1cccn2
• InChI: InChI=1S/C13H14N6O2/c1-3-9-17-10(21-18-9)7-15-12(20)11-8(2)16-13-14-5-4-6-19(11)13/h4-6H,3,7H2,1-2H3,(H,15,20)
• InChIKey: YYMSBFJXRSSSQJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-2-methylimidazo[1,2-a]pyrimidine-3-carboxamide
• IUPAC Traditional name: N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-2-methylimidazo[1,2-a]pyrimidine-3-carboxamide
• Synonyms: N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-2-methylimidazo[1,2-a]pyrimidine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.330148
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.012898526
• LogD (pH = 7.4): 0.012976005
• Log P: 0.0129769975
• Molar Refractivity: 77.0407 cm^3
• Polarizability: 27.2759 Å^3
• Polar Surface Area: 98.21 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: 0.05
• LOG S: -3.24
• Polar Surface Area: 98.21 Å^2
• Rotatable Bonds: 3