2-(2,5-dioxoimidazolidin-4-yl)-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]acetamide

• ChemBase ID: 392115
• Molecular Formular: C14H13N5O4
• Molecular Mass: 315.28412
• Monoisotopic Mass: 315.09675392
• SMILES: N1C(=O)NC(C1=O)CC(=O)NCc1nc(on1)c1ccccc1
• Canonical SMILES: O=C(CC1NC(=O)NC1=O)NCc1noc(n1)c1ccccc1
• InChI: InChI=1S/C14H13N5O4/c20-11(6-9-12(21)18-14(22)16-9)15-7-10-17-13(23-19-10)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,15,20)(H2,16,18,21,22)
• InChIKey: PFNPXGHAUPPYPT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2,5-dioxoimidazolidin-4-yl)-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]acetamide
• IUPAC Traditional name: 2-(2,5-dioxoimidazolidin-4-yl)-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]acetamide
• Synonyms: 2-(2,5-dioxoimidazolidin-4-yl)-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.615302
• H Acceptors: 5
• H Donor: 3
• LogD (pH = 5.5): 0.11271066
• LogD (pH = 7.4): 0.11012929
• Log P: 0.11274368
• Molar Refractivity: 88.1353 cm^3
• Polarizability: 29.79145 Å^3
• Polar Surface Area: 126.22 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 3
• Log P: -0.7
• LOG S: -2.21
• Polar Surface Area: 126.22 Å^2
• Rotatable Bonds: 5