5-methyl-N-[2-(5-methyl-3-nitro-1H-pyrazol-1-yl)ethyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
Chemical Structure Depiction of
5-methyl-N-[2-(5-methyl-3-nitro-1H-pyrazol-1-yl)ethyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
5-methyl-N-[2-(5-methyl-3-nitro-1H-pyrazol-1-yl)ethyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
Compound characteristics
| Compound ID: | Y502-6325 |
| Compound Name: | 5-methyl-N-[2-(5-methyl-3-nitro-1H-pyrazol-1-yl)ethyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide |
| Molecular Weight: | 333.34 |
| Molecular Formula: | C15 H19 N5 O4 |
| Smiles: | CC1CCc2c(C1)c(C(NCCn1c(C)cc(n1)[N+]([O-])=O)=O)no2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.2471 |
| logD: | 1.2471 |
| logSw: | -2.053 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 93.917 |
| InChI Key: | KNXIXGDGGMBIOE-SECBINFHSA-N |