Table 3. Lipinski and Veber rules of selected oxazole compounds (1-5).
Compound | MW | iLogP | HBD (nOHNH) | HBA (nON) | nrotb | MR | TPSA | Lipinski #violations | Bio availability score |
Lipinski* | ≤500 | ≤5 | ≤5 | ≤10 | ≤10 | - | - | ||
Veber** | - | - | - | - | - | - | ≤ 140 | ||
1 | 422.43 | 4.17 | 0 | 6 | 6 | 122.66 | 77.83 | 0 | 0.55 |
2 | 422.43 | 4.21 | 0 | 6 | 6 | 122.66 | 77.83 | 0 | 0.55 |
3 | 350.76 | 3.26 | 0 | 5 | 3 | 96.69 | 68.6 | 0 | 0.55 |
4 | 358.39 | 3.61 | 0 | 5 | 4 | 106.26 | 68.6 | 0 | 0.55 |
5 | 362.34 | 3.02 | 1 | 7 | 4 | 100.19 | 98.06 | 0 | 0.55 |
Amoxicillin | 365.4 | 1.46 | 4 | 6 | 5 | 94.59 | 158.26 | 0 | 0.55 |
Moxifloxacin | 401.43 | 2.78 | 2 | 6 | 4 | 114.05 | 83.8 | 0 | 0.55 |
Sulfanilamide | 172.2 | 0.61 | 2 | 3 | 1 | 41.84 | 94.56 | 0 | 0.55 |
Sulfamethoxazole | 253.28 | 1.03 | 2 | 4 | 3 | 62.99 | 106.6 | 0 | 0.55 |