The MVLR model revealed an acceptable correlation between enantioselectivity and four parameters for the entire ligand class: the dihedral angle (da_C2_X3_C4_N5) from the ligand backbone, the atomic charge at nitrogen from the oxazoline (nbo_N5), and sterimol parameters from the C6 substituent (Bmin and Bmax). With an R 2 of 0.69 and robust cross-validation metrics (LOO MAE = 0.32 kcal mol -1 and 3fold = 0.34 kcal mol -1 ), the model well captured the relationship (Scheme 4C). Interestingly, these features are highly influenced by the quinoline group of the benzamide substrate, revealing it crucial for better enantioselectivity besides the external steric factor which alters the second C-N axis rotation.