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Basic information
- Standard SMILES
CCCC(=O)Nc1ccc(-c2nnc([C@H](Nc3ccc(C#N)c(Cl)c3C)[C@@H](C)O)o2)cc1- InChIKey
NCLDBNOVUDJGBY-SPLOXXLWSA-N- Molecular formula
- C23H24ClN5O3
- Average molar mass
- 453.9 g/mol
- Monoisotopic mass
- 453.1567673
Names & identifiers
- Preferred name
- N-(4-(5-((1R,2R)-1-(3-Chloro-4-cyano-2-methylphenylamino)-2-hydroxypropyl)-1,3,4-oxadiazol-2-yl)phenyl)butyramide
- IUPAC
- N-[4-[5-[(1R,2R)-1-(3-chloro-4-cyano-2-methylanilino)-2-hydroxypropyl]-1,3,4-oxadiazol-2-yl]phenyl]butanamide
Names & synonyms
SCHEMBL1365668NCLDBNOVUDJGBY-SPLOXXLWSA-NBDBM112859US8629167, 71N-(4-(5-((1R,2R)-1-(3-Chloro-4-cyano-2-methylphenylamino)-2-hydroxypropyl)-1,3,4-oxadiazol-2-yl)phenyl)butyramide
Database identifiers
- PubChem CID
- 44200058
Properties
Computed structural propertiesFilling in
- XLogP
- 3.4
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 665
Related reactions
4 records
Compound notes
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