Basic information
- Standard SMILES
CCOC(=O)[C@@H]1COC([C@H](CCCC2CCCCC2)CC(=O)OC(C)(C)C)=N1- InChIKey
BXBMEWACALDXJT-MSOLQXFVSA-N- Molecular formula
- C22H37NO5
- Average molar mass
- 395.5 g/mol
Names & identifiers
- Preferred name
- Ethyl (4S)-2-{(1R)-1-[2-(tert-butoxy)-2-oxoethyl]4-cyclohexylbutyl}-4,5-dihydro-1,3-oxazole-4-carboxylate
- IUPAC
- ethyl (4S)-2-[(3R)-6-cyclohexyl-1-[(2-methylpropan-2-yl)oxy]-1-oxohexan-3-yl]-4,5-dihydro-1,3-oxazole-4-carboxylate
Names & synonyms
SCHEMBL5412023BXBMEWACALDXJT-MSOLQXFVSA-Nethyl (4S)-2-[(1R)-1-(2-tert-butoxy-2-oxoethyl)-4-cyclohexylbutyl]-4,5-dihydro-1,3-oxazole-4-carboxylateEthyl (4S)-2-{(1R)-1-[2-(tert-butoxy)-2-oxoethyl]-4-cyclohexylbutyl}-4,5-dihydro-1,3-oxazole-4-carboxylateEthyl (4S)-2-{(1R)-1-[2-(tert-butoxy)-2-oxoethyl]4-cyclohexylbutyl}-4,5-dihydro-1,3-oxazole-4-carboxylateethyl(4S)-2-[(1R)-1-(2-tert-butoxy-2-oxoethyl)-4-cyclohexylbutyl]-4,5-dihydro-1,3-oxazole-4-carboxylate
Database identifiers
- PubChem CID
- 59909855
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 74.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 12
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 546
Related reactions
9 records
Compound notes
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