(5RS)-5-methyl-5-[(1SR)-4-methyl-5-oxocyclohex-3-en-1-yl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
Chemical Structure Depiction of
(5RS)-5-methyl-5-[(1SR)-4-methyl-5-oxocyclohex-3-en-1-yl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
(5RS)-5-methyl-5-[(1SR)-4-methyl-5-oxocyclohex-3-en-1-yl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
Compound characteristics
| Compound ID: | 8019-4547 |
| Compound Name: | (5RS)-5-methyl-5-[(1SR)-4-methyl-5-oxocyclohex-3-en-1-yl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid |
| Molecular Weight: | 237.25 |
| Molecular Formula: | C12 H15 N O4 |
| Smiles: | [H][C@@]1(CC=C(C)C(C1)=O)C1(C)CC(C(O)=O)=NO1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.4027 |
| logD: | -2.3683 |
| logSw: | -1.4312 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.977 |
| InChI Key: | YDCLGBQQQCVZIB-SZSXPDSJSA-N |