2-(1-{6-methylimidazo[1,2-a]pyridine-2-carbonyl}piperidin-3-yl)-1,3-benzoxazole

• ChemBase ID: 634892
• Molecular Formular: C21H20N4O2
• Molecular Mass: 360.4091
• Monoisotopic Mass: 360.1586259
• SMILES: c1(nc2n(c1)cc(cc2)C)C(=O)N1CC(c2nc3c(o2)cccc3)CCC1
• Canonical SMILES: Cc1ccc2n(c1)cc(n2)C(=O)N1CCCC(C1)c1nc2c(o1)cccc2
• InChI: InChI=1S/C21H20N4O2/c1-14-8-9-19-22-17(13-25(19)11-14)21(26)24-10-4-5-15(12-24)20-23-16-6-2-3-7-18(16)27-20/h2-3,6-9,11,13,15H,4-5,10,12H2,1H3
• InChIKey: LRUCOUCCOXZEQN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(1-{6-methylimidazo[1,2-a]pyridine-2-carbonyl}piperidin-3-yl)-1,3-benzoxazole
• IUPAC Traditional name: 2-(1-{6-methylimidazo[1,2-a]pyridine-2-carbonyl}piperidin-3-yl)-1,3-benzoxazole
• Synonyms: 2-{1-[(6-methylimidazo[1,2-a]pyridin-2-yl)carbonyl]-3-piperidinyl}-1,3-benzoxazole

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.843197
• LogD (pH = 7.4): 2.851994
• Log P: 2.8521075
• Molar Refractivity: 102.2254 cm^3
• Polarizability: 39.457798 Å^3
• Polar Surface Area: 63.64 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.58
• LOG S: -5.14
• Polar Surface Area: 63.64 Å^2
• Rotatable Bonds: 2