Basic information
- Standard SMILES
Cc1c(N[C@@H](c2nc(-c3ccccc3)no2)[C@@H](C)O)ccc(C#N)c1Cl- InChIKey
GEBRCEDIBHJTAL-SJKOYZFVSA-N- Molecular formula
- C19H17ClN4O2
- Average molar mass
- 368.8 g/mol
Names & identifiers
- Preferred name
- 2-chloro-4-((1R,2R)-2-hydroxy-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propylamino)-3-methylbenzonitrile
- IUPAC
- 2-chloro-4-[[(1R,2R)-2-hydroxy-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]amino]-3-methylbenzonitrile
Names & synonyms
SCHEMBL1363778GEBRCEDIBHJTAL-SJKOYZFVSA-NBDBM112884US8629167, 182-chloro-4-((1R,2R)-2-hydroxy-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propylamino)-3-methylbenzonitrile
Database identifiers
- PubChem CID
- 67006203
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 95 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 507
Related reactions
4 records
Linked notes
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