Methyl (2-(4-fluoro-2-methylphenylamino)-7-fluoro-6-benzoxazolyl)acetate

HCID 58778975
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Basic information

Standard SMILES
COC(=O)Cc1ccc2nc(Nc3ccc(F)cc3C)oc2c1F
InChIKey
MCIOQFIAMVXOIM-UHFFFAOYSA-N
Molecular formula
C17H14F2N2O3
Average molar mass
332.3 g/mol
Monoisotopic mass
332.09724864

Names & identifiers

Preferred name
Methyl (2-(4-fluoro-2-methylphenylamino)-7-fluoro-6-benzoxazolyl)acetate
IUPAC
methyl 2-[7-fluoro-2-(4-fluoro-2-methylanilino)-1,3-benzoxazol-6-yl]acetate

Names & synonyms

SCHEMBL14592216MCIOQFIAMVXOIM-UHFFFAOYSA-Nmethyl (2-(4-fluoro-2-methylphenylamino)-7-fluoro-6-benzoxazolyl)acetate

Database identifiers

PubChem CID
58778975

Properties

Computed structural properties

XLogP
4
Topological polar surface area
64.4 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
7
Rotatable bonds
5
Heavy atoms
24

Related reactions

3 records
New reaction record

Compound notes

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