2-{[5-(2H-1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methoxy}-1-[4-(pyrimidin-2-yl)piperazin-1-yl]ethan-1-one
Chemical Structure Depiction of
2-{[5-(2H-1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methoxy}-1-[4-(pyrimidin-2-yl)piperazin-1-yl]ethan-1-one
2-{[5-(2H-1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methoxy}-1-[4-(pyrimidin-2-yl)piperazin-1-yl]ethan-1-one
Compound characteristics
| Compound ID: | E613-0186 |
| Compound Name: | 2-{[5-(2H-1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methoxy}-1-[4-(pyrimidin-2-yl)piperazin-1-yl]ethan-1-one |
| Molecular Weight: | 423.43 |
| Molecular Formula: | C21 H21 N5 O5 |
| Smiles: | C1CN(CCN1C(COCc1cc(c2ccc3c(c2)OCO3)on1)=O)c1ncccn1 |
| Stereo: | ACHIRAL |
| logP: | 2.143 |
| logD: | 2.143 |
| logSw: | -2.5976 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 85.562 |
| InChI Key: | RKSXDCWMIBPOAP-UHFFFAOYSA-N |