2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)-N-{[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl}acetamide

• ChemBase ID: 610624
• Molecular Formular: C15H22N4O4
• Molecular Mass: 322.35958
• Monoisotopic Mass: 322.1641052
• SMILES: N1(C(=O)N(C(C1=O)CC(=O)NCc1noc(c1)CC(C)C)C)C
• Canonical SMILES: CC(Cc1onc(c1)CNC(=O)CC1N(C)C(=O)N(C1=O)C)C
• InChI: InChI=1S/C15H22N4O4/c1-9(2)5-11-6-10(17-23-11)8-16-13(20)7-12-14(21)19(4)15(22)18(12)3/h6,9,12H,5,7-8H2,1-4H3,(H,16,20)
• InChIKey: FBHVMNXIOZBNJX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

供应商提供(Chembridge)

• Polar Surface Area: 95.75 Å^2
• Rotatable Bonds: 6
• H Acceptors: 5
• H Donor: 1
• Log P: -1.07
• LOG S: -1.95

JChem

• Rotatable Bonds: 6
• Lipinski's Rule of Five: true
• Acid pKa: 13.603643
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.035021704
• LogD (pH = 7.4): -0.035020925
• Log P: -0.035020664
• Molar Refractivity: 82.4434 cm^3
• Polarizability: 31.354767 Å^3
• Polar Surface Area: 95.75 Å^2