3-bromo-N-[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]benzamide
Basic information
- CAS
313528-08-4- Standard SMILES
Cc1ccc(-c2nc3cc(NC(=O)c4cccc(Br)c4)ccc3o2)cc1- InChIKey
QFUFXVCMLRKDGW-UHFFFAOYSA-N- Molecular formula
- C21H15BrN2O2
- Average molar mass
- 407.3 g/mol
- Monoisotopic mass
- 406.03169
Names & identifiers
- Preferred name
- 3-bromo-N-[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]benzamide
- IUPAC
- 3-bromo-N-[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]benzamide
- English name
- 3-bromo-N-[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]benzamide
- Molecular formula
- C21H15BrN2O2
- Molecular weight
- 407.26
Names & synonyms
3-bromo-N-[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]benzamideOprea1_317485Oprea1_387913AKOS000514944ST50336663AG-690/40111476(3-bromophenyl)-N-[2-(4-methylphenyl)benzoxazol-5-yl]carboxamide
Database identifiers
- CAS
313528-08-4- PubChem CID
- 1126384
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 494
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Compound notes
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