5-{1-[(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]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-[(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperidin-4-yl}-2-methyl-4-(propan-2-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one
5-{1-[(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperidin-4-yl}-2-methyl-4-(propan-2-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | S559-1334 |
| Compound Name: | 5-{1-[(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperidin-4-yl}-2-methyl-4-(propan-2-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one |
| Molecular Weight: | 361.44 |
| Molecular Formula: | C18 H27 N5 O3 |
| Smiles: | CC(C)N1C(C2CCN(CC2)C(Cc2c(C)noc2C)=O)=NN(C)C1=O |
| Stereo: | ACHIRAL |
| logP: | 1.7583 |
| logD: | 1.7521 |
| logSw: | -1.6894 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 70.248 |
| InChI Key: | VMKCJYQETCGETC-UHFFFAOYSA-N |