5-[(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)methyl]-N,N-dimethylfuran-2-carboxamide

• ChemBase ID: 659128
• Molecular Formular: C13H16N2O5
• Molecular Mass: 280.27654
• Monoisotopic Mass: 280.10592162
• SMILES: N1(C(=O)OC(C1=O)(C)C)Cc1oc(C(=O)N(C)C)cc1
• Canonical SMILES: O=C(c1ccc(o1)CN1C(=O)OC(C1=O)(C)C)N(C)C
• InChI: InChI=1S/C13H16N2O5/c1-13(2)11(17)15(12(18)20-13)7-8-5-6-9(19-8)10(16)14(3)4/h5-6H,7H2,1-4H3
• InChIKey: DVUIXBZZGGUPPC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-[(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)methyl]-N,N-dimethylfuran-2-carboxamide
• IUPAC Traditional name: 5-[(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)methyl]-N,N-dimethylfuran-2-carboxamide
• Synonyms: 5-[(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)methyl]-N,N-dimethyl-2-furamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.50685966
• LogD (pH = 7.4): 0.50685966
• Log P: 0.50685966
• Molar Refractivity: 68.953 cm^3
• Polarizability: 26.174946 Å^3
• Polar Surface Area: 80.06 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 0.33
• LOG S: -2.84
• Polar Surface Area: 80.06 Å^2
• Rotatable Bonds: 3