2-(2,5-dimethylphenyl)-2-oxoethyl 4-amino-1,2,5-oxadiazole-3-carboxylate
Chemical Structure Depiction of
2-(2,5-dimethylphenyl)-2-oxoethyl 4-amino-1,2,5-oxadiazole-3-carboxylate
2-(2,5-dimethylphenyl)-2-oxoethyl 4-amino-1,2,5-oxadiazole-3-carboxylate
Compound characteristics
| Compound ID: | 8009-2069 |
| Compound Name: | 2-(2,5-dimethylphenyl)-2-oxoethyl 4-amino-1,2,5-oxadiazole-3-carboxylate |
| Molecular Weight: | 275.26 |
| Molecular Formula: | C13 H13 N3 O4 |
| Smiles: | Cc1ccc(C)c(c1)C(COC(c1c(N)non1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2106 |
| logD: | 2.2106 |
| logSw: | -2.723 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 91.428 |
| InChI Key: | OWVVECXMXUZLIN-UHFFFAOYSA-N |