4-[3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazol-5-yl]butanamide

• ChemBase ID: 729356
• Molecular Formular: C11H13N5O2
• Molecular Mass: 247.25322
• Monoisotopic Mass: 247.10692468
• SMILES: c1(nc(on1)CCCC(=O)N)c1nnc(cc1)C
• Canonical SMILES: NC(=O)CCCc1onc(n1)c1ccc(nn1)C
• InChI: InChI=1S/C11H13N5O2/c1-7-5-6-8(15-14-7)11-13-10(18-16-11)4-2-3-9(12)17/h5-6H,2-4H2,1H3,(H2,12,17)
• InChIKey: FPIFPEAMFMMCNG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazol-5-yl]butanamide
• IUPAC Traditional name: 4-[3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazol-5-yl]butanamide
• Synonyms: 4-[3-(6-methyl-3-pyridazinyl)-1,2,4-oxadiazol-5-yl]butanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.355553
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -0.0010213587
• LogD (pH = 7.4): -0.0010041387
• Log P: -0.001003916
• Molar Refractivity: 75.7683 cm^3
• Polarizability: 24.348024 Å^3
• Polar Surface Area: 107.79 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: -0.23
• LOG S: -2.12
• Polar Surface Area: 107.79 Å^2
• Rotatable Bonds: 5