2-(2,5-dioxo-1-propylimidazolidin-4-yl)-N-{2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl}acetamide

• ChemBase ID: 865331
• Molecular Formular: C13H19N5O5
• Molecular Mass: 325.32046
• Monoisotopic Mass: 325.13861873
• SMILES: N1(C(=O)NC(C1=O)CC(=O)NCCOc1nonc1C)CCC
• Canonical SMILES: CCCN1C(=O)NC(C1=O)CC(=O)NCCOc1nonc1C
• InChI: InChI=1S/C13H19N5O5/c1-3-5-18-12(20)9(15-13(18)21)7-10(19)14-4-6-22-11-8(2)16-23-17-11/h9H,3-7H2,1-2H3,(H,14,19)(H,15,21)
• InChIKey: IGVKYQNCHMNLTR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2,5-dioxo-1-propylimidazolidin-4-yl)-N-{2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl}acetamide
• IUPAC Traditional name: 2-(2,5-dioxo-1-propylimidazolidin-4-yl)-N-{2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl}acetamide
• Synonyms: 2-(2,5-dioxo-1-propylimidazolidin-4-yl)-N-{2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl}acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.736226
• H Acceptors: 6
• H Donor: 2
• LogD (pH = 5.5): -1.0448081
• LogD (pH = 7.4): -1.0450037
• Log P: -1.0448056
• Molar Refractivity: 78.2914 cm^3
• Polarizability: 29.477045 Å^3
• Polar Surface Area: 126.66 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 2
• Log P: -0.91
• LOG S: -2.1
• Polar Surface Area: 126.66 Å^2
• Rotatable Bonds: 8