Basic information
- Standard SMILES
Cl.O=Cc1ccccc1C1CC(c2csc(C3CCNCC3)n2)=NO1- InChIKey
NLUROVMVDNIZTR-UHFFFAOYSA-N- Molecular formula
- C18H20ClN3O2S
- Average molar mass
- 377.9 g/mol
Names & identifiers
- Preferred name
- 2-{3-[2-(Piperidin-4-yl)-1,3-thiazol-4-yl]-4,5-dihydro-1,2-oxazol-5-yl}benzaldehyde hydrochloride
- IUPAC
- 2-[3-(2-piperidin-4-yl-1,3-thiazol-4-yl)-4,5-dihydro-1,2-oxazol-5-yl]benzaldehyde;hydrochloride
Names & synonyms
SCHEMBL30164SCHEMBL30593NLUROVMVDNIZTR-UHFFFAOYSA-NDB-1480862-(3-(2-(Piperidin-4-yl)thiazol-4-yl)-4,5-dihydroisoxazol-5-yl)benzaldehyde hydrochloride1313009-91-42-{3-[2-(piperidin-4-yl)-1,3-thiazol-4-yl]-4,5-dihydro-1,2-oxazol-5-yl}benzaldehyde hydrochloride4-{4-[5-(2-Formylphenyl)-4,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-yl}piperidinium chloride
Database identifiers
- PubChem CID
- 86665225
Properties
Computed structural properties
- Topological polar surface area
- 91.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 481
Related reactions
4 records
Compound notes
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