3-[(3-Bromophenyl)methyl]-N-methyl-1,2,4-oxadiazole-5-methanamine
Basic information
- CAS
1156170-19-2- Standard SMILES
CNCc1nc(Cc2cccc(Br)c2)no1- InChIKey
IHHMWZNSULKYLK-UHFFFAOYSA-N- Molecular formula
- C11H12BrN3O
- Average molar mass
- 282.14 g/mol
- Monoisotopic mass
- 281.01637
Names & identifiers
- Preferred name
- 3-[(3-Bromophenyl)methyl]-N-methyl-1,2,4-oxadiazole-5-methanamine
- IUPAC
- 1-[3-[(3-bromophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-methylmethanamine
Names & synonyms
DTXSID8011681623-[(3-Bromophenyl)methyl]-N-methyl-1,2,4-oxadiazole-5-methanamine1156170-19-21-{3-[(3-Bromophenyl)methyl]-1,2,4-oxadiazol-5-yl}-N-methylmethanamine
Database identifiers
- CAS
1156170-19-2- PubChem CID
- 43560656
- DTXSID
DTXSID801168162
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 51 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 217
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Compound notes
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