5-(1-{5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-2-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-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-2-carbonyl}piperidin-4-yl)-2-methyl-4-(propan-2-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one
5-(1-{5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-2-carbonyl}piperidin-4-yl)-2-methyl-4-(propan-2-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | S559-1336 |
| Compound Name: | 5-(1-{5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-2-carbonyl}piperidin-4-yl)-2-methyl-4-(propan-2-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one |
| Molecular Weight: | 427.5 |
| Molecular Formula: | C22 H29 N5 O4 |
| Smiles: | CC(C)N1C(C2CCN(CC2)C(c2ccc(Cc3c(C)noc3C)o2)=O)=NN(C)C1=O |
| Stereo: | ACHIRAL |
| logP: | 2.9758 |
| logD: | 2.9696 |
| logSw: | -2.9643 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 78.345 |
| InChI Key: | QCQJYDXHSHSBBI-UHFFFAOYSA-N |