4-({3-chloro-4-[(prop-2-yn-1-yl)oxy]phenyl}methylidene)-3-methyl-1,2-oxazol-5(4H)-one
Chemical Structure Depiction of
4-({3-chloro-4-[(prop-2-yn-1-yl)oxy]phenyl}methylidene)-3-methyl-1,2-oxazol-5(4H)-one
4-({3-chloro-4-[(prop-2-yn-1-yl)oxy]phenyl}methylidene)-3-methyl-1,2-oxazol-5(4H)-one
Compound characteristics
| Compound ID: | 5408-2284 |
| Compound Name: | 4-({3-chloro-4-[(prop-2-yn-1-yl)oxy]phenyl}methylidene)-3-methyl-1,2-oxazol-5(4H)-one |
| Molecular Weight: | 275.69 |
| Molecular Formula: | C14 H10 Cl N O3 |
| Smiles: | CC1/C(=C\c2ccc(c(c2)[Cl])OCC#C)C(=O)ON=1 |
| Stereo: | ACHIRAL |
| logP: | 2.6317 |
| logD: | 2.6317 |
| logSw: | -3.4155 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.64 |
| InChI Key: | SEFADEGDCYCEGC-UHFFFAOYSA-N |