N-benzyl-2-(2-oxo-1,3-oxazolidin-3-yl)-N-(1,3-thiazol-2-ylmethyl)acetamide

• ChemBase ID: 791781
• Molecular Formular: C16H17N3O3S
• Molecular Mass: 331.38948
• Monoisotopic Mass: 331.09906242
• SMILES: C1(=O)N(CC(=O)N(Cc2nccs2)Cc2ccccc2)CCO1
• Canonical SMILES: O=C(N(Cc1nccs1)Cc1ccccc1)CN1CCOC1=O
• InChI: InChI=1S/C16H17N3O3S/c20-15(12-18-7-8-22-16(18)21)19(11-14-17-6-9-23-14)10-13-4-2-1-3-5-13/h1-6,9H,7-8,10-12H2
• InChIKey: PXPHCGUMQQQGDS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-benzyl-2-(2-oxo-1,3-oxazolidin-3-yl)-N-(1,3-thiazol-2-ylmethyl)acetamide
• IUPAC Traditional name: N-benzyl-2-(2-oxo-1,3-oxazolidin-3-yl)-N-(1,3-thiazol-2-ylmethyl)acetamide
• Synonyms: N-benzyl-2-(2-oxo-1,3-oxazolidin-3-yl)-N-(1,3-thiazol-2-ylmethyl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 18.269897
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.1639348
• LogD (pH = 7.4): 1.1641258
• Log P: 1.1641283
• Molar Refractivity: 85.3747 cm^3
• Polarizability: 33.025745 Å^3
• Polar Surface Area: 62.74 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.33
• LOG S: -3.61
• Polar Surface Area: 62.74 Å^2
• Rotatable Bonds: 6