2-(4-methoxyphenoxymethyl)-N-({7-methylimidazo[1,2-a]pyridin-2-yl}methyl)-1,3-oxazole-4-carboxamide

• ChemBase ID: 515240
• Molecular Formular: C21H20N4O4
• Molecular Mass: 392.4079
• Monoisotopic Mass: 392.14845514
• SMILES: c1(nc(oc1)COc1ccc(cc1)OC)C(=O)NCc1nc2n(c1)ccc(c2)C
• Canonical SMILES: COc1ccc(cc1)OCc1occ(n1)C(=O)NCc1cn2c(n1)cc(cc2)C
• InChI: InChI=1S/C21H20N4O4/c1-14-7-8-25-11-15(23-19(25)9-14)10-22-21(26)18-12-29-20(24-18)13-28-17-5-3-16(27-2)4-6-17/h3-9,11-12H,10,13H2,1-2H3,(H,22,26)
• InChIKey: JJYBFKOEQGWXCR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-methoxyphenoxymethyl)-N-({7-methylimidazo[1,2-a]pyridin-2-yl}methyl)-1,3-oxazole-4-carboxamide
• IUPAC Traditional name: 2-(4-methoxyphenoxymethyl)-N-({7-methylimidazo[1,2-a]pyridin-2-yl}methyl)-1,3-oxazole-4-carboxamide
• Synonyms: 2-[(4-methoxyphenoxy)methyl]-N-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1,3-oxazole-4-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.053362
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 1.4084109
• LogD (pH = 7.4): 1.9482138
• Log P: 1.9632709
• Molar Refractivity: 106.2465 cm^3
• Polarizability: 39.968403 Å^3
• Polar Surface Area: 90.89 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 1
• Log P: 2.94
• LOG S: -4.88
• Polar Surface Area: 90.89 Å^2
• Rotatable Bonds: 6