2-Chloromethyl-N-[7-(4-fluoro-phenyl)-4-methoxy-benzooxazol-2-yl]-isonicotinamide

HCID 10093068

Basic information

Standard SMILES
COc1ccc(-c2ccc(F)cc2)c2oc(NC(=O)c3ccnc(CCl)c3)nc12
InChIKey
PXZBPPZTFIOKGL-UHFFFAOYSA-N
Molecular formula
C21H15ClFN3O3
Average molar mass
411.8 g/mol

Names & identifiers

Preferred name
2-Chloromethyl-N-[7-(4-fluoro-phenyl)-4-methoxy-benzooxazol-2-yl]-isonicotinamide
IUPAC
2-(chloromethyl)-N-[7-(4-fluorophenyl)-4-methoxy-1,3-benzoxazol-2-yl]pyridine-4-carboxamide

Names & synonyms

SCHEMBL5036593PXZBPPZTFIOKGL-UHFFFAOYSA-NL0231162-chloromethyl-N-[7-(4-fluoro-phenyl)-4-methoxy-benzooxazol-2-yl ]-isonicotinamide2-Chloromethyl-N-[7-(4-fluoro-phenyl)-4-methoxy-benzooxazol-2-yl]-isonicotinamide

Database identifiers

PubChem CID
10093068

Properties

Computed structural properties

XLogP
4
Topological polar surface area
77.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
5
Heavy atoms
29

Related reactions

3 records

Compound notes

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