3-{2-oxo-2-[2-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl}-1,3-oxazolidin-2-one

• ChemBase ID: 675838
• Molecular Formular: C13H17N3O3S
• Molecular Mass: 295.35738
• Monoisotopic Mass: 295.09906242
• SMILES: N1(C(=O)CN2C(=O)OCC2)C(c2nccs2)CCCC1
• Canonical SMILES: O=C(N1CCCCC1c1nccs1)CN1CCOC1=O
• InChI: InChI=1S/C13H17N3O3S/c17-11(9-15-6-7-19-13(15)18)16-5-2-1-3-10(16)12-14-4-8-20-12/h4,8,10H,1-3,5-7,9H2
• InChIKey: WCOKVBWPPJPYSK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-{2-oxo-2-[2-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl}-1,3-oxazolidin-2-one
• IUPAC Traditional name: 3-{2-oxo-2-[2-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl}-1,3-oxazolidin-2-one
• Synonyms: 3-{2-oxo-2-[2-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl}-1,3-oxazolidin-2-one

CALCULATED PROPERTIES

JChem

• Acid pKa: 18.2835
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.5018126
• LogD (pH = 7.4): 0.50197554
• Log P: 0.50197756
• Molar Refractivity: 72.6494 cm^3
• Polarizability: 28.295843 Å^3
• Polar Surface Area: 62.74 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: 1.06
• LOG S: -2.26
• Polar Surface Area: 62.74 Å^2
• Rotatable Bonds: 3