methyl 3-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]-5-nitrobenzoate
Chemical Structure Depiction of
methyl 3-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]-5-nitrobenzoate
methyl 3-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]-5-nitrobenzoate
Compound characteristics
| Compound ID: | Y032-1610 |
| Compound Name: | methyl 3-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]-5-nitrobenzoate |
| Molecular Weight: | 305.24 |
| Molecular Formula: | C13 H11 N3 O6 |
| Smiles: | Cc1cc(NC(c2cc(cc(c2)[N+]([O-])=O)C(=O)OC)=O)no1 |
| Stereo: | ACHIRAL |
| logP: | 2.6792 |
| logD: | 0.8852 |
| logSw: | -2.9959 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 99.68 |
| InChI Key: | AKFIJTKXEGOFSE-UHFFFAOYSA-N |