1,2,4-Oxadiazole, 3-(p-chlorophenyl)-5-((diethylamino)methyl)-, hydrochloride
Basic information
- CAS
96431-52-6- Standard SMILES
CC[NH+](CC)Cc1nc(-c2ccc(Cl)cc2)no1.[Cl-]- InChIKey
CNXKMRUOOJXNHC-UHFFFAOYSA-N- Molecular formula
- C13H17Cl2N3O
- Average molar mass
- 302.2 g/mol
- Monoisotopic mass
- 301.0748676
Names & identifiers
- Preferred name
- 1,2,4-Oxadiazole, 3-(p-chlorophenyl)-5-((diethylamino)methyl)-, hydrochloride
- IUPAC
- [3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl-diethylazanium chloride
Names & synonyms
AF 51196431-52-63-(p-Chlorophenyl)-5-((diethylamino)methyl)-1,2,4-oxadiazole hydrochloride1,2,4-OXADIAZOLE, 3-(p-CHLOROPHENYL)-5-((DIETHYLAMINO)METHYL)-, HYDROCHLORIDERefChem:214939[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl-diethylazanium chlorideAF 511, 3-(p-Chlorophenyl)-5-((diethylamino)methyl)-1,2,4-oxadiazole hydrochloride, 1,2,4-OXADIAZOLE, 3-(p-CHLOROPHENYL)-5-((DIETHYLAMINO)METHYL)-, HYDROCHLORIDE, 96431-52-6, AC1L1MAJ, LS-99101, [3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl-diethylazanium chloride, N-{[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-N-ethylethanaminium chloride
Database identifiers
- CAS
96431-52-6- PubChem CID
- 57087
Properties
Computed structural properties
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 242
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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