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Basic information
- Standard SMILES
CCN(CC)C(=O)c1cnoc1-c1ccc(Br)cc1- InChIKey
XQXNKUHYAXJQBI-UHFFFAOYSA-N- Molecular formula
- C14H15BrN2O2
- Average molar mass
- 323.18 g/mol
Names & identifiers
- Preferred name
- 5-(4-Bromophenyl)-N,N-diethylisoxazole-4-carboxamide
- IUPAC
- 5-(4-bromophenyl)-N,N-diethyl-1,2-oxazole-4-carboxamide
Names & synonyms
SCHEMBL3540340CHEMBL5488999XQXNKUHYAXJQBI-UHFFFAOYSA-N5-(4-Bromophenyl)-N,N-diethylisoxazole-4-carboxamide
Database identifiers
- PubChem CID
- 24809888
- ChEMBL
CHEMBL5488999
Properties
Computed structural propertiesFilling in
- XLogP
- 2.9
- Topological polar surface area
- 46.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 302
Related reactions
2 records
Compound notes
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