N-[(1R)-3-methyl-1-[3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazol-5-yl]butyl]acetamide

• ChemBase ID: 569365
• Molecular Formular: C14H19N5O2
• Molecular Mass: 289.33296
• Monoisotopic Mass: 289.15387487
• SMILES: n1c(noc1[C@H](NC(=O)C)CC(C)C)c1nnc(cc1)C
• Canonical SMILES: CC(C[C@H](c1onc(n1)c1ccc(nn1)C)NC(=O)C)C
• InChI: InChI=1S/C14H19N5O2/c1-8(2)7-12(15-10(4)20)14-16-13(19-21-14)11-6-5-9(3)17-18-11/h5-6,8,12H,7H2,1-4H3,(H,15,20)/t12-/m1/s1
• InChIKey: UNQLNBUUGKCZCN-GFCCVEGCSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(1R)-3-methyl-1-[3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazol-5-yl]butyl]acetamide
• IUPAC Traditional name: N-[(1R)-3-methyl-1-[3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazol-5-yl]butyl]acetamide
• Synonyms: N-{(1R)-3-methyl-1-[3-(6-methyl-3-pyridazinyl)-1,2,4-oxadiazol-5-yl]butyl}acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.422788
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 1.2891444
• LogD (pH = 7.4): 1.2891579
• Log P: 1.2891618
• Molar Refractivity: 89.4228 cm^3
• Polarizability: 29.842058 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: 1.32
• LOG S: -2.44
• Polar Surface Area: 93.8 Å^2
• Rotatable Bonds: 5