Structural insight into π-stacking interactions of non-aromatic oxazolo[5,4-d]pyrimidine derivatives and their neuroactivity in a Galleria mellonella model.
Combined crystallographic, EDA, and NCI results provide complementary structural, energetic, and real-space evidence supporting dispersion-dominated stacking interactions in the solid state, whereas their possible relationship with the observed neurobiological effects remains to be established.