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

• ChemBase ID: 344856
• Molecular Formular: C14H19N5O4
• Molecular Mass: 321.33176
• Monoisotopic Mass: 321.14370411
• SMILES: N1C(=O)NC(C1=O)CC(=O)NCCc1nc(on1)C1CCCC1
• Canonical SMILES: O=C(CC1NC(=O)NC1=O)NCCc1noc(n1)C1CCCC1
• InChI: InChI=1S/C14H19N5O4/c20-11(7-9-12(21)18-14(22)16-9)15-6-5-10-17-13(23-19-10)8-3-1-2-4-8/h8-9H,1-7H2,(H,15,20)(H2,16,18,21,22)
• InChIKey: CBTDZUBRKWYVPM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.597437
• H Acceptors: 5
• H Donor: 3
• LogD (pH = 5.5): 0.015825555
• LogD (pH = 7.4): 0.013135986
• Log P: 0.015859969
• Molar Refractivity: 78.775 cm^3
• Polarizability: 29.837502 Å^3
• Polar Surface Area: 126.22 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 3
• Log P: -1.23
• LOG S: -1.8
• Polar Surface Area: 126.22 Å^2
• Rotatable Bonds: 6