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

• ChemBase ID: 706092
• Molecular Formular: C9H10N4O5
• Molecular Mass: 254.1995
• Monoisotopic Mass: 254.06511944
• SMILES: N1(C(=O)OC(C1=O)(C)C)Cc1nc(on1)C(=O)N
• Canonical SMILES: NC(=O)c1onc(n1)CN1C(=O)OC(C1=O)(C)C
• InChI: InChI=1S/C9H10N4O5/c1-9(2)7(15)13(8(16)17-9)3-4-11-6(5(10)14)18-12-4/h3H2,1-2H3,(H2,10,14)
• InChIKey: BXEOXKULLZBIES-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.141968
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -0.42864993
• LogD (pH = 7.4): -0.42870033
• Log P: -0.42864928
• Molar Refractivity: 56.4952 cm^3
• Polarizability: 20.985554 Å^3
• Polar Surface Area: 128.62 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 1
• Log P: -0.73
• LOG S: -1.74
• Polar Surface Area: 128.62 Å^2
• Rotatable Bonds: 3