N-[2-(1,3-benzoxazol-2-yl)ethyl]-2-(2,5-dioxoimidazolidin-4-yl)acetamide

• ChemBase ID: 665124
• Molecular Formular: C14H14N4O4
• Molecular Mass: 302.28536
• Monoisotopic Mass: 302.10150495
• SMILES: N1C(=O)NC(C1=O)CC(=O)NCCc1nc2c(o1)cccc2
• Canonical SMILES: O=C(CC1NC(=O)NC1=O)NCCc1nc2c(o1)cccc2
• InChI: InChI=1S/C14H14N4O4/c19-11(7-9-13(20)18-14(21)17-9)15-6-5-12-16-8-3-1-2-4-10(8)22-12/h1-4,9H,5-7H2,(H,15,19)(H2,17,18,20,21)
• InChIKey: AWAVXRUBRMCSJX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.620993
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -0.7252961
• LogD (pH = 7.4): -0.72783613
• Log P: -0.72526276
• Molar Refractivity: 73.5984 cm^3
• Polarizability: 29.681095 Å^3
• Polar Surface Area: 113.33 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 3
• Log P: -0.67
• LOG S: -2.14
• Polar Surface Area: 113.33 Å^2
• Rotatable Bonds: 5