Methyl (2-(5-fluoro-2-methylphenylamino)-6-benzoxazolyl)acetate

HCID 58778736
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Basic information

Standard SMILES
COC(=O)Cc1ccc2nc(Nc3cc(F)ccc3C)oc2c1
InChIKey
JYYCJKRLRZMQOZ-UHFFFAOYSA-N
Molecular formula
C17H15FN2O3
Average molar mass
314.31 g/mol
Monoisotopic mass
314.10667051

Names & identifiers

Preferred name
Methyl (2-(5-fluoro-2-methylphenylamino)-6-benzoxazolyl)acetate
IUPAC
methyl 2-[2-(5-fluoro-2-methylanilino)-1,3-benzoxazol-6-yl]acetate

Names & synonyms

SCHEMBL14592200JYYCJKRLRZMQOZ-UHFFFAOYSA-Nmethyl (2-(5-fluoro-2-methylphenylamino)-6-benzoxazolyl)acetate

Database identifiers

PubChem CID
58778736

Properties

Computed structural properties

XLogP
3.9
Topological polar surface area
64.4 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
5
Heavy atoms
23

Related reactions

5 records
New reaction record

Compound notes

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