Basic information
- Standard SMILES
COc1ccc(F)cc1-c1noc(-c2ccc(N3CCCCC3C)c(C#N)c2)n1- InChIKey
CWHZPJPYPBINJE-UHFFFAOYSA-N- Molecular formula
- C22H21FN4O2
- Average molar mass
- 392.4 g/mol
- Monoisotopic mass
- 392.16485409
Names & identifiers
- Preferred name
- 5-[3-(5-Fluoro-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-(2-methylpiperidin-1-yl)benzonitrile
- IUPAC
- 5-[3-(5-fluoro-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-(2-methylpiperidin-1-yl)benzonitrile
Names & synonyms
SCHEMBL3759414CHEMBL3699132CWHZPJPYPBINJE-UHFFFAOYSA-NBDBM139215US8889668, I715-[3-(5-fluoro-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-(2-methylpiperidin-1-yl)benzonitrile
Database identifiers
- PubChem CID
- 59606529
- ChEMBL
CHEMBL3699132
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 75.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 599
Related reactions
2 records
Compound notes
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