1-(benzyl{[3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}amino)-3-[(prop-2-yn-1-yl)oxy]propan-2-ol
Chemical Structure Depiction of
1-(benzyl{[3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}amino)-3-[(prop-2-yn-1-yl)oxy]propan-2-ol
1-(benzyl{[3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}amino)-3-[(prop-2-yn-1-yl)oxy]propan-2-ol
Compound characteristics
| Compound ID: | V002-2647 |
| Compound Name: | 1-(benzyl{[3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}amino)-3-[(prop-2-yn-1-yl)oxy]propan-2-ol |
| Molecular Weight: | 412.92 |
| Molecular Formula: | C23 H25 Cl N2 O3 |
| Smiles: | C#CCOCC(CN(CC1CC(c2ccc(cc2)[Cl])=NO1)Cc1ccccc1)O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.0048 |
| logD: | 3.9966 |
| logSw: | -4.4668 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.758 |
| InChI Key: | NBQITXLQAONDQJ-UHFFFAOYSA-N |