Basic information
- Standard SMILES
Cc1onc(-c2cccc(Cl)c2)c1COc1ccc(C(=O)NC2CCOCC2)cn1- InChIKey
YMLQPPVUBPVWMN-UHFFFAOYSA-N- Molecular formula
- C22H22ClN3O4
- Average molar mass
- 427.9 g/mol
Names & identifiers
- Preferred name
- 6-[3-(3-Chloro-phenyl)-5-methyl-isoxazol-4-ylmethoxy]-N-(tetrahydro-pyran-4-yl)-nicotinamide
- IUPAC
- 6-[[3-(3-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-N-(oxan-4-yl)pyridine-3-carboxamide
Names & synonyms
SCHEMBL2927916CHEMBL3676550YMLQPPVUBPVWMN-UHFFFAOYSA-NBDBM133416US8846719, 1016-[3-(3-Chloro-phenyl)-5-methyl-isoxazol-4-ylmethoxy]-N-(tetrahydro-pyran-4-yl)-nicotinamide
Database identifiers
- PubChem CID
- 57520180
- ChEMBL
CHEMBL3676550
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 86.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 563
Related reactions
5 records
Compound notes
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