4-(4-Bromo-3,5-dimethoxyphenyl)-5-methyloxazole
Basic information
- Standard SMILES
COc1cc(-c2ncoc2C)cc(OC)c1Br- InChIKey
GEMFEUIHLRJJCD-UHFFFAOYSA-N- Molecular formula
- C12H12BrNO3
- Average molar mass
- 298.13 g/mol
- Monoisotopic mass
- 297.00006
Names & identifiers
- Preferred name
- 4-(4-Bromo-3,5-dimethoxyphenyl)-5-methyloxazole
- IUPAC
- 4-(4-bromo-3,5-dimethoxyphenyl)-5-methyl-1,3-oxazole
Names & synonyms
4-(4-bromo-3,5-dimethoxyphenyl)-5-methyloxazoleSCHEMBL2386481GEMFEUIHLRJJCD-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 58431985
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 44.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 240
Related reactions
9 records
Compound notes
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