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Basic information
- Standard SMILES
CCCc1nc(-c2ccccc2Br)oc1C(=O)ON1C(=O)CCC1=O- InChIKey
BLDPBVNDQUBFNW-UHFFFAOYSA-N- Molecular formula
- C17H15BrN2O5
- Average molar mass
- 407.2 g/mol
- Monoisotopic mass
- 406.01643
Names & identifiers
- Preferred name
- 2-(2-Bromo-phenyl)-4-propyl-oxazole-5-carboxylic acid 2,5-dioxo-pyrrolidin-1-yl ester
- IUPAC
- (2,5-dioxopyrrolidin-1-yl) 2-(2-bromophenyl)-4-propyl-1,3-oxazole-5-carboxylate
Names & synonyms
SCHEMBL2794422BLDPBVNDQUBFNW-UHFFFAOYSA-N2-(2-bromo-phenyl)-4-propyl-oxazole-5-carboxylic acid 2,5-dioxo-pyrrolidin-1-yl ester
Database identifiers
- PubChem CID
- 59301331
Properties
Computed structural propertiesFilling in
- XLogP
- 3.2
- Topological polar surface area
- 89.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 527
Related reactions
6 records
Compound notes
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