5-(4-(Bromomethyl)phenyl)-2-phenyloxazole
Basic information
- CAS
64661-07-0- Standard SMILES
BrCc1ccc(-c2cnc(-c3ccccc3)o2)cc1- InChIKey
QBZWFSZJMZNCQF-UHFFFAOYSA-N- Molecular formula
- C16H12BrNO
- Average molar mass
- 314.18 g/mol
- Monoisotopic mass
- 313.01023
Names & identifiers
- Preferred name
- 5-(4-(Bromomethyl)phenyl)-2-phenyloxazole
- IUPAC
- 5-[4-(bromomethyl)phenyl]-2-phenyl-1,3-oxazole
Names & synonyms
5-(4-(bromomethyl)phenyl)-2-phenyloxazole64661-07-05-[4-(Bromomethyl)phenyl]-2-phenyloxazoleRefChem:2997705-[4-(bromomethyl)phenyl]-2-phenyl-1,3-oxazoleDTXSID101272720STK525943AKOS0054593972-phenyl-5-(p-bromomethylphenyl)oxazole
Database identifiers
- CAS
64661-07-0- PubChem CID
- 911489
- DTXSID
DTXSID101272720
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 272
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Compound notes
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