4-Cyano-2-cyclopropyl-7-fluoro-5-methyl-1,3-benzoxazole-6-carboxylic Acid

HCID 68587388
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Basic information

Standard SMILES
Cc1c(C(=O)O)c(F)c2oc(C3CC3)nc2c1C#N
InChIKey
WHKRXHREGPDXRA-UHFFFAOYSA-N
Molecular formula
C13H9FN2O3
Average molar mass
260.22 g/mol

Names & identifiers

Preferred name
4-Cyano-2-cyclopropyl-7-fluoro-5-methyl-1,3-benzoxazole-6-carboxylic Acid
IUPAC
4-cyano-2-cyclopropyl-7-fluoro-5-methyl-1,3-benzoxazole-6-carboxylic acid

Names & synonyms

SCHEMBL3301601WHKRXHREGPDXRA-UHFFFAOYSA-N4-Cyano-2-cyclopropyl-7-fluoro-5-methyl-1,3-benzoxazole-6-carboxylic Acid

Database identifiers

PubChem CID
68587388

Properties

Computed structural properties

XLogP
2
Topological polar surface area
87.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
2
Heavy atoms
19

Related reactions

2 records
New reaction record

Linked notes

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