methyl 2-{[4-nitro-5-(propan-2-yl)-1,2-oxazole-3-carbonyl]amino}benzoate
Chemical Structure Depiction of
methyl 2-{[4-nitro-5-(propan-2-yl)-1,2-oxazole-3-carbonyl]amino}benzoate
methyl 2-{[4-nitro-5-(propan-2-yl)-1,2-oxazole-3-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | C582-0872 |
| Compound Name: | methyl 2-{[4-nitro-5-(propan-2-yl)-1,2-oxazole-3-carbonyl]amino}benzoate |
| Molecular Weight: | 333.3 |
| Molecular Formula: | C15 H15 N3 O6 |
| Smiles: | CC(C)c1c(c(C(Nc2ccccc2C(=O)OC)=O)no1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.9956 |
| logD: | 1.3825 |
| logSw: | -3.6969 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 99.396 |
| InChI Key: | IKHSSTWZMKHZKK-UHFFFAOYSA-N |