N-[(5-tert-butyl-1,3-benzoxazol-2-yl)methyl]-2-(2,5-dioxoimidazolidin-1-yl)acetamide

• ChemBase ID: 632323
• Molecular Formular: C17H20N4O4
• Molecular Mass: 344.3651
• Monoisotopic Mass: 344.14845514
• SMILES: N1(C(=O)NCC1=O)CC(=O)NCc1nc2c(o1)ccc(c2)C(C)(C)C
• Canonical SMILES: O=C(CN1C(=O)CNC1=O)NCc1oc2c(n1)cc(cc2)C(C)(C)C
• InChI: InChI=1S/C17H20N4O4/c1-17(2,3)10-4-5-12-11(6-10)20-14(25-12)7-18-13(22)9-21-15(23)8-19-16(21)24/h4-6H,7-9H2,1-3H3,(H,18,22)(H,19,24)
• InChIKey: TVLHPLWJXMARFH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(5-tert-butyl-1,3-benzoxazol-2-yl)methyl]-2-(2,5-dioxoimidazolidin-1-yl)acetamide
• IUPAC Traditional name: N-[(5-tert-butyl-1,3-benzoxazol-2-yl)methyl]-2-(2,5-dioxoimidazolidin-1-yl)acetamide
• Synonyms: N-[(5-tert-butyl-1,3-benzoxazol-2-yl)methyl]-2-(2,5-dioxo-1-imidazolidinyl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.467696
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.35748655
• LogD (pH = 7.4): 0.35745132
• Log P: 0.3574878
• Molar Refractivity: 88.0169 cm^3
• Polarizability: 35.09674 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: 1.32
• LOG S: -2.84
• Polar Surface Area: 104.54 Å^2
• Rotatable Bonds: 5