2-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N-methylacetamide

• ChemBase ID: 657241
• Molecular Formular: C14H20N4O4
• Molecular Mass: 308.333
• Monoisotopic Mass: 308.14845514
• SMILES: N1(C(=O)NC(=O)C1(C)C)CC(=O)N(Cc1onc(c1)CC)C
• Canonical SMILES: CCc1noc(c1)CN(C(=O)CN1C(=O)NC(=O)C1(C)C)C
• InChI: InChI=1S/C14H20N4O4/c1-5-9-6-10(22-16-9)7-17(4)11(19)8-18-13(21)15-12(20)14(18,2)3/h6H,5,7-8H2,1-4H3,(H,15,20,21)
• InChIKey: OJIXMADVBBMEBI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N-methylacetamide
• IUPAC Traditional name: 2-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N-methylacetamide
• Synonyms: 2-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)-N-[(3-ethylisoxazol-5-yl)methyl]-N-methylacetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.144607
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.26570877
• LogD (pH = 7.4): -0.26646817
• Log P: -0.26569578
• Molar Refractivity: 78.0007 cm^3
• Polarizability: 29.5298 Å^3
• Polar Surface Area: 95.75 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: -0.22
• LOG S: -2.57
• Polar Surface Area: 95.75 Å^2
• Rotatable Bonds: 5