5-methyl-4-[(3-nitro-1H-pyrazol-1-yl)methyl]-1,2-oxazole-3-carboxylic acid
Chemical Structure Depiction of
5-methyl-4-[(3-nitro-1H-pyrazol-1-yl)methyl]-1,2-oxazole-3-carboxylic acid
5-methyl-4-[(3-nitro-1H-pyrazol-1-yl)methyl]-1,2-oxazole-3-carboxylic acid
Compound characteristics
| Compound ID: | Y507-0631 |
| Compound Name: | 5-methyl-4-[(3-nitro-1H-pyrazol-1-yl)methyl]-1,2-oxazole-3-carboxylic acid |
| Molecular Weight: | 252.18 |
| Molecular Formula: | C9 H8 N4 O5 |
| Smiles: | Cc1c(Cn2ccc(n2)[N+]([O-])=O)c(C(O)=O)no1 |
| Stereo: | ACHIRAL |
| logP: | -0.2856 |
| logD: | -3.8443 |
| logSw: | -1.3183 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 98.112 |
| InChI Key: | ULDWPSLIGAWWJW-UHFFFAOYSA-N |