N-methyl-N-{[3-(pyridin-3-yl)-1,2-oxazol-5-yl]methyl}imidazo[1,2-a]pyrimidine-2-carboxamide

• ChemBase ID: 723760
• Molecular Formular: C17H14N6O2
• Molecular Mass: 334.33206
• Monoisotopic Mass: 334.11782372
• SMILES: c1(nc2n(c1)cccn2)C(=O)N(Cc1cc(no1)c1cnccc1)C
• Canonical SMILES: CN(C(=O)c1cn2c(n1)nccc2)Cc1onc(c1)c1cccnc1
• InChI: InChI=1S/C17H14N6O2/c1-22(16(24)15-11-23-7-3-6-19-17(23)20-15)10-13-8-14(21-25-13)12-4-2-5-18-9-12/h2-9,11H,10H2,1H3
• InChIKey: GZFISJIBVLANDM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-N-{[3-(pyridin-3-yl)-1,2-oxazol-5-yl]methyl}imidazo[1,2-a]pyrimidine-2-carboxamide
• IUPAC Traditional name: N-methyl-N-{[3-(pyridin-3-yl)-1,2-oxazol-5-yl]methyl}imidazo[1,2-a]pyrimidine-2-carboxamide
• Synonyms: N-methyl-N-{[3-(3-pyridinyl)-5-isoxazolyl]methyl}imidazo[1,2-a]pyrimidine-2-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 0.29953417
• LogD (pH = 7.4): 0.3153542
• Log P: 0.31556055
• Molar Refractivity: 91.8288 cm^3
• Polarizability: 34.575527 Å^3
• Polar Surface Area: 89.42 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: -1.02
• LOG S: -2.08
• Polar Surface Area: 89.42 Å^2
• Rotatable Bonds: 4