2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-N-(furan-3-ylmethyl)-N-methylacetamide

• ChemBase ID: 444014
• Molecular Formular: C13H16N2O5
• Molecular Mass: 280.27654
• Monoisotopic Mass: 280.10592162
• SMILES: N1(C(=O)OC(C1=O)(C)C)CC(=O)N(Cc1cocc1)C
• Canonical SMILES: CN(C(=O)CN1C(=O)OC(C1=O)(C)C)Cc1ccoc1
• InChI: InChI=1S/C13H16N2O5/c1-13(2)11(17)15(12(18)20-13)7-10(16)14(3)6-9-4-5-19-8-9/h4-5,8H,6-7H2,1-3H3
• InChIKey: NLYHPUZOTOVTAF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-N-(furan-3-ylmethyl)-N-methylacetamide
• IUPAC Traditional name: 2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-N-(furan-3-ylmethyl)-N-methylacetamide
• Synonyms: 2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-N-(3-furylmethyl)-N-methylacetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.0773
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.48725778
• LogD (pH = 7.4): 0.48725778
• Log P: 0.4872578
• Molar Refractivity: 68.0264 cm^3
• Polarizability: 26.370195 Å^3
• Polar Surface Area: 80.06 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 0.69
• LOG S: -1.83
• Polar Surface Area: 80.06 Å^2
• Rotatable Bonds: 4