A pharmaceutical intermediate,3-pyridyl benzoxazole derivatives(DIHY),was designed and synthesized as the guest molecule.The self-assembly binding models of tetramethyl cucurbit[6]uril(TMeQ[6]),cucurbit[7]uril(Q[7]) and cucurbit[8]uril(Q[8]) with DIHY were investigated by 1 H NMR,MS,isothermal titration calorimetry and UV-Vis spectrum.The results showed that there are different modes of interaction between these three different cucurbit[n]uril and DIHY.For the TMeQ[6]-DIHY system,the guest molecule is locat...