N-{3-[3-(pyridazin-3-yl)-1,2,4-oxadiazol-5-yl]propyl}acetamide

• ChemBase ID: 403204
• Molecular Formular: C11H13N5O2
• Molecular Mass: 247.25322
• Monoisotopic Mass: 247.10692468
• SMILES: c1(nc(on1)CCCNC(=O)C)c1nnccc1
• Canonical SMILES: CC(=O)NCCCc1nc(no1)c1cccnn1
• InChI: InChI=1S/C11H13N5O2/c1-8(17)12-6-3-5-10-14-11(16-18-10)9-4-2-7-13-15-9/h2,4,7H,3,5-6H2,1H3,(H,12,17)
• InChIKey: NXISNCDLLJUSNC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{3-[3-(pyridazin-3-yl)-1,2,4-oxadiazol-5-yl]propyl}acetamide
• IUPAC Traditional name: N-{3-[3-(pyridazin-3-yl)-1,2,4-oxadiazol-5-yl]propyl}acetamide
• Synonyms: N-{3-[3-(3-pyridazinyl)-1,2,4-oxadiazol-5-yl]propyl}acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.886859
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -0.19236271
• LogD (pH = 7.4): -0.19236095
• Log P: -0.19236092
• Molar Refractivity: 76.1182 cm^3
• Polarizability: 24.42276 Å^3
• Polar Surface Area: 93.8 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: -0.51
• LOG S: -1.88
• Polar Surface Area: 93.8 Å^2
• Rotatable Bonds: 5