Polarizability in Substituted Oxazoles: A PC-Model Data Analysis

• Main Authors: S. Harikrishna, S. P. Shrivastava, J. T. Rao, S. N. Limaye
• Format: Article
• Language: English
• Published: Hindawi Limited 2005-01-01
• Series: E-Journal of Chemistry
• Online Access: http://dx.doi.org/10.1155/2005/641812

A systematic investigation of various Oxazole derivatives has been subjected to a Polarized Continuums Model (PCM) for evaluation of their physico-chemical parameters. The data thus obtained have been used to discuss the effect of substituents on polarizability of the oxazole aromatic ring and its possible dependence on the lipophilicity. In view of their biological activity a quantitative dependence of the physico-chemical parameters of the oxazole derivatives with the π– lipophilicity distributive parameter [8] with respect to substituents on the oxazole aromatic ring, have been attempted. These physico-chemical parameters showed a dependence with respect to their X1, X2 and X3 substituents as H, H, H < H, H,Ph < H,Ph < Ph, Ph, Ph The variations thuas obtained have been discussed in light of substitutions and their effect on the polarizability of the oxale ring.