N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-6-(1,2-oxazolidin-2-yl)pyridine-3-carboxamide

• ChemBase ID: 515409
• Molecular Formular: C15H18N4O2S
• Molecular Mass: 318.39402
• Monoisotopic Mass: 318.11504684
• SMILES: n1c(scc1CC)CNC(=O)c1cnc(N2OCCC2)cc1
• Canonical SMILES: CCc1csc(n1)CNC(=O)c1ccc(nc1)N1CCCO1
• InChI: InChI=1S/C15H18N4O2S/c1-2-12-10-22-14(18-12)9-17-15(20)11-4-5-13(16-8-11)19-6-3-7-21-19/h4-5,8,10H,2-3,6-7,9H2,1H3,(H,17,20)
• InChIKey: QOZQFXYZWSLXEK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-6-(1,2-oxazolidin-2-yl)pyridine-3-carboxamide
• IUPAC Traditional name: N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-6-(1,2-oxazolidin-2-yl)pyridine-3-carboxamide
• Synonyms: N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-6-(2-isoxazolidinyl)nicotinamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.029752
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 1.7096112
• LogD (pH = 7.4): 1.7109171
• Log P: 1.7109339
• Molar Refractivity: 94.7273 cm^3
• Polarizability: 31.75602 Å^3
• Polar Surface Area: 67.35 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: 1.46
• LOG S: -4.38
• Polar Surface Area: 67.35 Å^2
• Rotatable Bonds: 4