Basic information
- Standard SMILES
O=C(NC1CCOCC1)c1ccc(OCc2conc2-c2ccc(Cl)cc2)nc1- InChIKey
IGXMXTUDKDNXBK-UHFFFAOYSA-N- Molecular formula
- C21H20ClN3O4
- Average molar mass
- 413.9 g/mol
Names & identifiers
- Preferred name
- 6-[3-(4-Chloro-phenyl)-isoxazol-4-ylmethoxy]-N-(tetrahydro-pyran-4-yl)-nicotinamide
- IUPAC
- 6-[[3-(4-chlorophenyl)-1,2-oxazol-4-yl]methoxy]-N-(oxan-4-yl)pyridine-3-carboxamide
Names & synonyms
SCHEMBL2931180CHEMBL3681621IGXMXTUDKDNXBK-UHFFFAOYSA-NBDBM133633US8846719, 3456-[3-(4-Chloro-phenyl)-isoxazol-4-ylmethoxy]-N-(tetrahydro-pyran-4-yl)-nicotinamide
Database identifiers
- PubChem CID
- 68445494
- ChEMBL
CHEMBL3681621
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 86.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 526
Related reactions
6 records
Compound notes
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