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
- Formal charge
- 0
- Complexity
- 563
Related reactions
3 records
Compound notes
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