Basic information
- Standard SMILES
N#Cc1ccc(-c2nc(COc3ccc(CCCn4ccnc4)cc3)co2)cc1- InChIKey
PGGAYZVQTXLXLJ-UHFFFAOYSA-N- Molecular formula
- C23H20N4O2
- Average molar mass
- 384.4 g/mol
- Monoisotopic mass
- 384.15862589
Names & identifiers
- Preferred name
- 2-(4-Cyanophenyl)-4-[4-[3-(1-imidazolyl)propyl]phenoxymethyl]oxazole
- IUPAC
- 4-[4-[[4-(3-imidazol-1-ylpropyl)phenoxy]methyl]-1,3-oxazol-2-yl]benzonitrile
Names & synonyms
SCHEMBL5758727PGGAYZVQTXLXLJ-UHFFFAOYSA-N2-(4-cyanophenyl)-4-[4-[3-(1-imidazolyl)propyl]phenoxymethyl]oxazole
Database identifiers
- PubChem CID
- 22009761
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 76.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 534
Related reactions
2 records
Compound notes
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