3-(1-{imidazo[1,2-a]pyridine-6-carbonyl}piperidin-4-yl)-1,3-oxazolidin-2-one

• ChemBase ID: 371582
• Molecular Formular: C16H18N4O3
• Molecular Mass: 314.33912
• Monoisotopic Mass: 314.13789046
• SMILES: c1(C(=O)N2CCC(N3C(=O)OCC3)CC2)cn2c(ncc2)cc1
• Canonical SMILES: O=C1OCCN1C1CCN(CC1)C(=O)c1ccc2n(c1)ccn2
• InChI: InChI=1S/C16H18N4O3/c21-15(12-1-2-14-17-5-8-19(14)11-12)18-6-3-13(4-7-18)20-9-10-23-16(20)22/h1-2,5,8,11,13H,3-4,6-7,9-10H2
• InChIKey: SSYYUBJDIMKNIZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(1-{imidazo[1,2-a]pyridine-6-carbonyl}piperidin-4-yl)-1,3-oxazolidin-2-one
• IUPAC Traditional name: 3-(1-{imidazo[1,2-a]pyridine-6-carbonyl}piperidin-4-yl)-1,3-oxazolidin-2-one
• Synonyms: 3-[1-(imidazo[1,2-a]pyridin-6-ylcarbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.86878693
• LogD (pH = 7.4): -0.26544607
• Log P: -0.24099149
• Molar Refractivity: 84.1851 cm^3
• Polarizability: 31.360802 Å^3
• Polar Surface Area: 67.15 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: -0.5
• LOG S: -2.38
• Polar Surface Area: 67.15 Å^2
• Rotatable Bonds: 2