Basic information
- Standard SMILES
C=CC[C@@H]1CCC[C@H](OCc2nc(-c3cccc(OC)c3)oc2C)C1- InChIKey
SUJOBTBBQMOUNL-APWZRJJASA-N- Molecular formula
- C21H27NO3
- Average molar mass
- 341.4 g/mol
Names & identifiers
- Preferred name
- 4-(cis-3-Allylcyclohexyloxymethyl)-2-(3-methoxyphenyl)-5-methyloxazole
- IUPAC
- 2-(3-methoxyphenyl)-5-methyl-4-[[(1S,3S)-3-prop-2-enylcyclohexyl]oxymethyl]-1,3-oxazole
Names & synonyms
SCHEMBL4926548SUJOBTBBQMOUNL-APWZRJJASA-N4-(cis-3-allylcyclohexyloxymethyl)-2-(3-methoxyphenyl)-5-methyloxazole
Database identifiers
- PubChem CID
- 69243749
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 44.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 416
Related reactions
2 records
Compound notes
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