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

• ChemBase ID: 428622
• Molecular Formular: C11H13N5O2
• Molecular Mass: 247.25322
• Monoisotopic Mass: 247.10692468
• SMILES: n1c(noc1[C@H](NC(=O)C)CC)c1nnccc1
• Canonical SMILES: CC[C@H](c1onc(n1)c1cccnn1)NC(=O)C
• InChI: InChI=1S/C11H13N5O2/c1-3-8(13-7(2)17)11-14-10(16-18-11)9-5-4-6-12-15-9/h4-6,8H,3H2,1-2H3,(H,13,17)/t8-/m1/s1
• InChIKey: KIGUAQBIFGJDCP-MRVPVSSYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.146881
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.36026213
• LogD (pH = 7.4): 0.36025685
• Log P: 0.36026397
• Molar Refractivity: 75.6817 cm^3
• Polarizability: 24.421833 Å^3
• Polar Surface Area: 93.8 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: -0.02
• LOG S: -2.3
• Polar Surface Area: 93.8 Å^2
• Rotatable Bonds: 4