6-Bromo-4-cyano-7-fluoro-N,N,5-trimethyl-1,3-benzoxazole-2-carboxamide

HCID 68584962
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Basic information

Standard SMILES
Cc1c(Br)c(F)c2oc(C(=O)N(C)C)nc2c1C#N
InChIKey
DJIBQBYYZKNQDF-UHFFFAOYSA-N
Molecular formula
C12H9BrFN3O2
Average molar mass
326.12 g/mol

Names & identifiers

Preferred name
6-Bromo-4-cyano-7-fluoro-N,N,5-trimethyl-1,3-benzoxazole-2-carboxamide
IUPAC
6-bromo-4-cyano-7-fluoro-N,N,5-trimethyl-1,3-benzoxazole-2-carboxamide

Names & synonyms

SCHEMBL3295336DJIBQBYYZKNQDF-UHFFFAOYSA-N6-Bromo-4-cyano-7-fluoro-N,N,5-trimethyl-1,3-benzoxazole-2-carboxamide

Database identifiers

PubChem CID
68584962

Properties

Computed structural properties

XLogP
2.4
Topological polar surface area
70.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
1
Heavy atoms
19

Related reactions

6 records
New reaction record

Linked notes

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