2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylacetamide

• ChemBase ID: 726177
• Molecular Formular: C13H18N4O5
• Molecular Mass: 310.30582
• Monoisotopic Mass: 310.1277197
• SMILES: N1(C(=O)OC(C1=O)(C)C)CC(=O)N(Cc1nc(on1)CC)C
• Canonical SMILES: CCc1onc(n1)CN(C(=O)CN1C(=O)OC(C1=O)(C)C)C
• InChI: InChI=1S/C13H18N4O5/c1-5-9-14-8(15-22-9)6-16(4)10(18)7-17-11(19)13(2,3)21-12(17)20/h5-7H2,1-4H3
• InChIKey: QMKPGCRIFIXMFM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylacetamide
• IUPAC Traditional name: 2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylacetamide
• Synonyms: 2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylacetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.045515
• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 0.4597032
• LogD (pH = 7.4): 0.4597032
• Log P: 0.4597032
• Molar Refractivity: 74.7074 cm^3
• Polarizability: 28.31467 Å^3
• Polar Surface Area: 105.84 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 0
• Log P: 0.18
• LOG S: -2.93
• Polar Surface Area: 105.84 Å^2
• Rotatable Bonds: 5