2-(3-Bromo-1-benzofuran-5-yl)-5-methyl-1,3,4-oxadiazole
Basic information
- Standard SMILES
Cc1nnc(-c2ccc3occ(Br)c3c2)o1- InChIKey
WPPXWGXIZMQZOJ-UHFFFAOYSA-N- Molecular formula
- C11H7BrN2O2
- Average molar mass
- 279.09 g/mol
- Monoisotopic mass
- 277.96909
Names & identifiers
- Preferred name
- 2-(3-Bromo-1-benzofuran-5-yl)-5-methyl-1,3,4-oxadiazole
- IUPAC
- 2-(3-bromo-1-benzofuran-5-yl)-5-methyl-1,3,4-oxadiazole
Names & synonyms
2-(3-bromo-1-benzofuran-5-yl)-5-methyl-1,3,4-oxadiazoleSCHEMBL3491637WPPXWGXIZMQZOJ-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 44480697
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 52.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 266
Related reactions
7 records
Compound notes
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