1-(4-{5-methyl-4-[(3-methylphenoxy)methyl]-1,2-oxazole-3-carbonyl}piperazin-1-yl)but-2-yn-1-one
Chemical Structure Depiction of
1-(4-{5-methyl-4-[(3-methylphenoxy)methyl]-1,2-oxazole-3-carbonyl}piperazin-1-yl)but-2-yn-1-one
1-(4-{5-methyl-4-[(3-methylphenoxy)methyl]-1,2-oxazole-3-carbonyl}piperazin-1-yl)but-2-yn-1-one
Compound characteristics
| Compound ID: | T002-0287 |
| Compound Name: | 1-(4-{5-methyl-4-[(3-methylphenoxy)methyl]-1,2-oxazole-3-carbonyl}piperazin-1-yl)but-2-yn-1-one |
| Molecular Weight: | 381.43 |
| Molecular Formula: | C21 H23 N3 O4 |
| Smiles: | CC#CC(N1CCN(CC1)C(c1c(COc2cccc(C)c2)c(C)on1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6401 |
| logD: | 2.6401 |
| logSw: | -2.649 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 62.546 |
| InChI Key: | CPHIRXNAWSBZDD-UHFFFAOYSA-N |