4-(hydroxymethyl)-5-methyl-N-({5-methylimidazo[1,2-a]pyridin-2-yl}methyl)-1,2-oxazole-3-carboxamide

• ChemBase ID: 542267
• Molecular Formular: C15H16N4O3
• Molecular Mass: 300.31254
• Monoisotopic Mass: 300.12224039
• SMILES: c1(c(c(on1)C)CO)C(=O)NCc1nc2n(c1)c(ccc2)C
• Canonical SMILES: OCc1c(C)onc1C(=O)NCc1nc2n(c1)c(C)ccc2
• InChI: InChI=1S/C15H16N4O3/c1-9-4-3-5-13-17-11(7-19(9)13)6-16-15(21)14-12(8-20)10(2)22-18-14/h3-5,7,20H,6,8H2,1-2H3,(H,16,21)
• InChIKey: USVIXMFQKOCCEH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(hydroxymethyl)-5-methyl-N-({5-methylimidazo[1,2-a]pyridin-2-yl}methyl)-1,2-oxazole-3-carboxamide
• IUPAC Traditional name: 4-(hydroxymethyl)-5-methyl-N-({5-methylimidazo[1,2-a]pyridin-2-yl}methyl)-1,2-oxazole-3-carboxamide
• Synonyms: 4-(hydroxymethyl)-5-methyl-N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]isoxazole-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.126858
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.5448758
• LogD (pH = 7.4): 0.0063006426
• Log P: 0.021979395
• Molar Refractivity: 82.1872 cm^3
• Polarizability: 29.600533 Å^3
• Polar Surface Area: 92.66 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: -0.32
• LOG S: -2.43
• Polar Surface Area: 92.66 Å^2
• Rotatable Bonds: 4