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

• ChemBase ID: 402804
• Molecular Formular: C16H16N4O4
• Molecular Mass: 328.32264
• Monoisotopic Mass: 328.11715501
• SMILES: N1C(=O)NC(C1=O)CC(=O)N(Cc1cc(no1)c1ccccc1)C
• Canonical SMILES: CN(C(=O)CC1NC(=O)NC1=O)Cc1onc(c1)c1ccccc1
• InChI: InChI=1S/C16H16N4O4/c1-20(14(21)8-13-15(22)18-16(23)17-13)9-11-7-12(19-24-11)10-5-3-2-4-6-10/h2-7,13H,8-9H2,1H3,(H2,17,18,22,23)
• InChIKey: ZSMXXLNVMAYKPA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.621026
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.15920383
• LogD (pH = 7.4): 0.15666358
• Log P: 0.15923671
• Molar Refractivity: 83.8873 cm^3
• Polarizability: 33.08886 Å^3
• Polar Surface Area: 104.54 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: -1.04
• LOG S: -2.02
• Polar Surface Area: 104.54 Å^2
• Rotatable Bonds: 5