N-({8-methylimidazo[1,2-a]pyridin-3-yl}methyl)-3-(1,2-oxazolidin-2-yl)propanamide

• ChemBase ID: 577002
• Molecular Formular: C15H20N4O2
• Molecular Mass: 288.3449
• Monoisotopic Mass: 288.1586259
• SMILES: c12n(c(cn1)CNC(=O)CCN1OCCC1)cccc2C
• Canonical SMILES: O=C(NCc1cnc2n1cccc2C)CCN1CCCO1
• InChI: InChI=1S/C15H20N4O2/c1-12-4-2-7-19-13(11-17-15(12)19)10-16-14(20)5-8-18-6-3-9-21-18/h2,4,7,11H,3,5-6,8-10H2,1H3,(H,16,20)
• InChIKey: KQXVKIGKNVNCBQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-({8-methylimidazo[1,2-a]pyridin-3-yl}methyl)-3-(1,2-oxazolidin-2-yl)propanamide
• IUPAC Traditional name: N-({8-methylimidazo[1,2-a]pyridin-3-yl}methyl)-3-(1,2-oxazolidin-2-yl)propanamide
• Synonyms: 3-isoxazolidin-2-yl-N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.412104
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.9953649
• LogD (pH = 7.4): -0.27648824
• Log P: -0.23240198
• Molar Refractivity: 80.7493 cm^3
• Polarizability: 30.645529 Å^3
• Polar Surface Area: 58.87 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: -0.2
• LOG S: -2.44
• Polar Surface Area: 58.87 Å^2
• Rotatable Bonds: 5