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

• ChemBase ID: 328601
• Molecular Formular: C17H18N4O2
• Molecular Mass: 310.35042
• Monoisotopic Mass: 310.14297584
• SMILES: c1(nc2n(c1)cc(cc2)C)C(=O)N1C(c2onc(c2)C)CCC1
• Canonical SMILES: Cc1noc(c1)C1CCCN1C(=O)c1nc2n(c1)cc(cc2)C
• InChI: InChI=1S/C17H18N4O2/c1-11-5-6-16-18-13(10-20(16)9-11)17(22)21-7-3-4-14(21)15-8-12(2)19-23-15/h5-6,8-10,14H,3-4,7H2,1-2H3
• InChIKey: GZSQEAQYCUSVBC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.5538883
• LogD (pH = 7.4): 1.562655
• Log P: 1.5627679
• Molar Refractivity: 87.2122 cm^3
• Polarizability: 31.890837 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: 0.77
• LOG S: -2.12
• Polar Surface Area: 63.64 Å^2
• Rotatable Bonds: 2