3-methyl-6-(5-{1-[2-(propan-2-yl)-1H-imidazol-1-yl]ethyl}-1,2,4-oxadiazol-3-yl)pyridazine

• ChemBase ID: 464376
• Molecular Formular: C15H18N6O
• Molecular Mass: 298.34302
• Monoisotopic Mass: 298.15420923
• SMILES: n1c(onc1c1nnc(cc1)C)C(n1c(ncc1)C(C)C)C
• Canonical SMILES: Cc1ccc(nn1)c1noc(n1)C(n1ccnc1C(C)C)C
• InChI: InChI=1S/C15H18N6O/c1-9(2)14-16-7-8-21(14)11(4)15-17-13(20-22-15)12-6-5-10(3)18-19-12/h5-9,11H,1-4H3
• InChIKey: WLUAKICTTRNILQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methyl-6-(5-{1-[2-(propan-2-yl)-1H-imidazol-1-yl]ethyl}-1,2,4-oxadiazol-3-yl)pyridazine
• IUPAC Traditional name: 3-{5-[1-(2-isopropylimidazol-1-yl)ethyl]-1,2,4-oxadiazol-3-yl}-6-methylpyridazine
• Synonyms: 3-{5-[1-(2-isopropyl-1H-imidazol-1-yl)ethyl]-1,2,4-oxadiazol-3-yl}-6-methylpyridazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.2306898
• LogD (pH = 7.4): 2.1205168
• Log P: 2.257448
• Molar Refractivity: 93.9382 cm^3
• Polarizability: 31.185236 Å^3
• Polar Surface Area: 82.52 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 1.71
• LOG S: -2.84
• Polar Surface Area: 82.52 Å^2
• Rotatable Bonds: 4