Basic information
- Standard SMILES
COc1cccc(-c2nnc([C@H](Nc3ccc(C#N)c(Cl)c3C)[C@H](C)O)o2)c1- InChIKey
NYGXTSKWUFTDQM-KPZWWZAWSA-N- Molecular formula
- C20H19ClN4O3
- Average molar mass
- 398.8 g/mol
Names & identifiers
- Preferred name
- 2-Chloro-4-((1R,2S)-2-hydroxy-1-(5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl)propylamino)-3-methylbenzonitrile
- IUPAC
- 2-chloro-4-[[(1R,2S)-2-hydroxy-1-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propyl]amino]-3-methylbenzonitrile
Names & synonyms
SCHEMBL1363393NYGXTSKWUFTDQM-KPZWWZAWSA-NBDBM112796US8629167, 62-Chloro-4-((1R,2S)-2-hydroxy-1-(5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl)propylamino)-3-methylbenzonitrile
Database identifiers
- PubChem CID
- 44200306
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 559
Related reactions
4 records
Compound notes
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