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Basic information
- Standard SMILES
CCc1c(N[C@@H](c2nnc(-c3ccccc3)o2)[C@H](C)O)ccc(C#N)c1Cl- InChIKey
JPVHWTMRRWGIFO-KPZWWZAWSA-N- Molecular formula
- C20H19ClN4O2
- Average molar mass
- 382.8 g/mol
Names & identifiers
- Preferred name
- 2-chloro-3-ethyl-4-((1R,2S)-2-hydroxy-1-(5-phenyl-1,3,4-oxadiazol-2-yl)propylamino)benzonitrile
- IUPAC
- 2-chloro-3-ethyl-4-[[(1R,2S)-2-hydroxy-1-(5-phenyl-1,3,4-oxadiazol-2-yl)propyl]amino]benzonitrile
Names & synonyms
SCHEMBL1364467JPVHWTMRRWGIFO-KPZWWZAWSA-NBDBM112801US8629167, 112-chloro-3-ethyl-4-((1R,2S)-2-hydroxy-1-(5-phenyl-1,3,4-oxadiazol-2-yl)propylamino)benzonitrile
Database identifiers
- PubChem CID
- 44200768
Properties
Computed structural propertiesFilling in
- XLogP
- 3.9
- Topological polar surface area
- 95 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 521
Related reactions
4 records
Compound notes
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