Basic information
- Standard SMILES
N#CC=C1CCc2ccc3nc(CCCCc4ccccc4)oc3c21- InChIKey
KKOLCMHFCXUEGI-UHFFFAOYSA-N- Molecular formula
- C22H20N2O
- Average molar mass
- 328.4 g/mol
Names & identifiers
- Preferred name
- [2-(4-Phenylbutyl)-6,7-dihydro-8H-indeno[5,4-d][1,3]oxazol-8-ylidene]acetonitrile
- IUPAC
- 2-[2-(4-phenylbutyl)-6,7-dihydrocyclopenta[g][1,3]benzoxazol-8-ylidene]acetonitrile
Names & synonyms
SCHEMBL2300396KKOLCMHFCXUEGI-UHFFFAOYSA-N[2-(4-Phenylbutyl)-6,7-dihydro-8H-indeno[5,4-d][1,3]oxazol-8-ylidene]acetonitrile
Database identifiers
- PubChem CID
- 67355173
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 527
Related reactions
14 records
Compound notes
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