N-methyl-2-(2-oxo-1,3-oxazolidin-3-yl)-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]acetamide

• ChemBase ID: 689617
• Molecular Formular: C16H17N3O4
• Molecular Mass: 315.32388
• Monoisotopic Mass: 315.12190604
• SMILES: C1(=O)N(CC(=O)N(Cc2cc(no2)c2ccccc2)C)CCO1
• Canonical SMILES: CN(C(=O)CN1CCOC1=O)Cc1onc(c1)c1ccccc1
• InChI: InChI=1S/C16H17N3O4/c1-18(15(20)11-19-7-8-22-16(19)21)10-13-9-14(17-23-13)12-5-3-2-4-6-12/h2-6,9H,7-8,10-11H2,1H3
• InChIKey: LSTNGKCTKAAVMI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-2-(2-oxo-1,3-oxazolidin-3-yl)-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]acetamide
• IUPAC Traditional name: N-methyl-2-(2-oxo-1,3-oxazolidin-3-yl)-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]acetamide
• Synonyms: N-methyl-2-(2-oxo-1,3-oxazolidin-3-yl)-N-[(3-phenyl-5-isoxazolyl)methyl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 18.353893
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.0253178
• LogD (pH = 7.4): 1.0253181
• Log P: 1.0253181
• Molar Refractivity: 82.3104 cm^3
• Polarizability: 32.55129 Å^3
• Polar Surface Area: 75.88 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 0.29
• LOG S: -3.06
• Polar Surface Area: 75.88 Å^2
• Rotatable Bonds: 5