1,2,4-Oxadiazole, 5-(2-(dimethylamino)ethyl)-3-phenyl-, hydrochloride
Basic information
- CAS
58598-98-4- Standard SMILES
C[NH+](C)CCc1nc(-c2ccccc2)no1.[Cl-]- InChIKey
FAXULPKCZXJSBT-UHFFFAOYSA-N- Molecular formula
- C12H16ClN3O
- Average molar mass
- 253.73 g/mol
- Monoisotopic mass
- 253.0981898
Names & identifiers
- Preferred name
- 1,2,4-Oxadiazole, 5-(2-(dimethylamino)ethyl)-3-phenyl-, hydrochloride
- IUPAC
- dimethyl-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]azanium chloride
Names & synonyms
58598-98-41,2,4-OXADIAZOLE, 5-(2-(DIMETHYLAMINO)ETHYL)-3-PHENYL-, HYDROCHLORIDERefChem:10520495-(2-(Dimethylamino)ethyl)-3-phenyl-1,2,4-oxadiazole hydrochlorideAF 520
Database identifiers
- CAS
58598-98-4- PubChem CID
- 42795
Properties
Computed structural properties
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 204
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Compound notes
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