5-{1-[5-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)-1,2-oxazole-3-carbonyl]piperidin-4-yl}-2-methyl-4-(propan-2-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one
Chemical Structure Depiction of
5-{1-[5-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)-1,2-oxazole-3-carbonyl]piperidin-4-yl}-2-methyl-4-(propan-2-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one
5-{1-[5-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)-1,2-oxazole-3-carbonyl]piperidin-4-yl}-2-methyl-4-(propan-2-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | S559-1344 |
| Compound Name: | 5-{1-[5-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)-1,2-oxazole-3-carbonyl]piperidin-4-yl}-2-methyl-4-(propan-2-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one |
| Molecular Weight: | 441.53 |
| Molecular Formula: | C22 H31 N7 O3 |
| Smiles: | CCn1c(C)c(c(C)n1)c1cc(C(N2CCC(CC2)C2=NN(C)C(N2C(C)C)=O)=O)no1 |
| Stereo: | ACHIRAL |
| logP: | 2.0467 |
| logD: | 2.0405 |
| logSw: | -2.1625 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 84.55 |
| InChI Key: | ABPMDLSNNZHHPC-UHFFFAOYSA-N |