5-methyl-3-(1-{2-phenylimidazo[1,2-a]pyridine-6-carbonyl}pyrrolidin-2-yl)-1,2-oxazole

• ChemBase ID: 561715
• Molecular Formular: C22H20N4O2
• Molecular Mass: 372.4198
• Monoisotopic Mass: 372.1586259
• SMILES: c1(C(=O)N2C(c3noc(c3)C)CCC2)cn2c(nc(c2)c2ccccc2)cc1
• Canonical SMILES: Cc1onc(c1)C1CCCN1C(=O)c1ccc2n(c1)cc(n2)c1ccccc1
• InChI: InChI=1S/C22H20N4O2/c1-15-12-18(24-28-15)20-8-5-11-26(20)22(27)17-9-10-21-23-19(14-25(21)13-17)16-6-3-2-4-7-16/h2-4,6-7,9-10,12-14,20H,5,8,11H2,1H3
• InChIKey: OVKSPXZUWFFCRU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-methyl-3-(1-{2-phenylimidazo[1,2-a]pyridine-6-carbonyl}pyrrolidin-2-yl)-1,2-oxazole
• IUPAC Traditional name: 5-methyl-3-(1-{2-phenylimidazo[1,2-a]pyridine-6-carbonyl}pyrrolidin-2-yl)-1,2-oxazole
• Synonyms: 6-{[2-(5-methylisoxazol-3-yl)pyrrolidin-1-yl]carbonyl}-2-phenylimidazo[1,2-a]pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.8917193
• LogD (pH = 7.4): 3.0754497
• Log P: 3.078423
• Molar Refractivity: 107.5408 cm^3
• Polarizability: 41.042953 Å^3
• Polar Surface Area: 63.64 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.76
• LOG S: -3.42
• Polar Surface Area: 63.64 Å^2
• Rotatable Bonds: 3