Basic information
- Standard SMILES
CC(C#N)=C1CCN(c2ccc(N3C[C@H](CN)OC3=O)cc2F)CC1- InChIKey
PDJWYWPTAJLNRK-HNNXBMFYSA-N- Molecular formula
- C18H21FN4O2
- Average molar mass
- 344.4 g/mol
Names & identifiers
- Preferred name
- (S)-N-{3-[4-(4-(1-cyanoethylidene)-piperidin-1-yl)-3-fluorophenyl]-2-oxo-oxazolidin-5-ylmethyl}-amine
- IUPAC
- 2-[1-[4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]piperidin-4-ylidene]propanenitrile
Names & synonyms
SCHEMBL5111464PDJWYWPTAJLNRK-HNNXBMFYSA-N(S)-N-{3-[4-(4-(1-cyanoethylidene)-piperidin-1-yl)-3-fluorophenyl]-2-oxo-oxazolidin-5-ylmethyl}-amine
Database identifiers
- PubChem CID
- 69315435
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 82.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 589
Related reactions
3 records
Compound notes
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