Basic information
- Standard SMILES
COc1cccc(-c2nc(CO[C@@H]3CCC[C@H](CC=O)C3)c(C)o2)c1- InChIKey
JDHCASIRZZQYSO-CRAIPNDOSA-N- Molecular formula
- C20H25NO4
- Average molar mass
- 343.4 g/mol
Names & identifiers
- Preferred name
- {cis-3-[2-(3-Methoxyphenyl)-5-methyloxazol-4-ylmethoxy]cyclohexyl}-acetaldehyde
- IUPAC
- 2-[(1S,3R)-3-[[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]cyclohexyl]acetaldehyde
Names & synonyms
SCHEMBL4916592JDHCASIRZZQYSO-CRAIPNDOSA-N{cis-3-[2-(3-methoxyphenyl)-5-methyloxazol-4-ylmethoxy]cyclohexyl}-acetaldehyde
Database identifiers
- PubChem CID
- 86597948
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 61.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 419
Related reactions
1 records
Compound notes
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