ethyl 2-{[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}-3-oxobutanoate
Chemical Structure Depiction of
ethyl 2-{[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}-3-oxobutanoate
ethyl 2-{[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}-3-oxobutanoate
Compound characteristics
| Compound ID: | 8018-8589 |
| Compound Name: | ethyl 2-{[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}-3-oxobutanoate |
| Molecular Weight: | 319.36 |
| Molecular Formula: | C17 H21 N O5 |
| Smiles: | CCOC(C(CC1CC(c2ccc(cc2)OC)=NO1)C(C)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.6361 |
| logD: | 2.6361 |
| logSw: | -2.6615 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 65.199 |
| InChI Key: | XOIIZUSFRFCVKQ-UHFFFAOYSA-N |