Basic information
- Standard SMILES
CC(C)c1nc(-c2ccccc2Br)oc1C(C)O- InChIKey
BITFSADYBYZUKO-UHFFFAOYSA-N- Molecular formula
- C14H16BrNO2
- Average molar mass
- 310.19 g/mol
- Monoisotopic mass
- 309.03644
Names & identifiers
- Preferred name
- 1-[2-(-Bromo-phenyl)4-isopropyl-oxazol-5-yl]-ethanol
- IUPAC
- 1-[2-(2-bromophenyl)-4-propan-2-yl-1,3-oxazol-5-yl]ethanol
Names & synonyms
SCHEMBL4470229BITFSADYBYZUKO-UHFFFAOYSA-N1-[2-(-bromo-phenyl)-4-isopropyl-oxazol-5-yl]-ethanol1-[2-(-bromo-phenyl)4-isopropyl-oxazol-5-yl]-ethanol
Database identifiers
- PubChem CID
- 69055698
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 46.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 275
Related reactions
2 records
Compound notes
Loading…