[1-(3-methylpyridin-2-yl)propan-2-yl]({1-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]ethyl})amine

• ChemBase ID: 415822
• Molecular Formular: C16H24N4O
• Molecular Mass: 288.38796
• Monoisotopic Mass: 288.19501141
• SMILES: n1c(onc1C(C)C)C(NC(Cc1ncccc1C)C)C
• Canonical SMILES: CC(Cc1ncccc1C)NC(c1onc(n1)C(C)C)C
• InChI: InChI=1S/C16H24N4O/c1-10(2)15-19-16(21-20-15)13(5)18-12(4)9-14-11(3)7-6-8-17-14/h6-8,10,12-13,18H,9H2,1-5H3
• InChIKey: NKDNGRPRIYOTSF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1-(3-methylpyridin-2-yl)propan-2-yl]({1-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]ethyl})amine
• IUPAC Traditional name: [1-(3-isopropyl-1,2,4-oxadiazol-5-yl)ethyl][1-(3-methylpyridin-2-yl)propan-2-yl]amine
• Synonyms: N-[1-(3-isopropyl-1,2,4-oxadiazol-5-yl)ethyl]-1-(3-methyl-2-pyridinyl)-2-propanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.7212307
• LogD (pH = 7.4): 3.2430992
• Log P: 3.4584408
• Molar Refractivity: 83.6617 cm^3
• Polarizability: 31.995388 Å^3
• Polar Surface Area: 63.84 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 1.73
• LOG S: -0.47
• Polar Surface Area: 63.84 Å^2
• Rotatable Bonds: 6