5-[3-(4-Fluoro-phenyl)-5-hydroxymethyl-isoxazol-4-ylmethoxy]-pyridine-2-carboxylic acid cyclopropylamide
Basic information
- Standard SMILES
O=C(NC1CC1)c1ccc(OCc2c(-c3ccc(F)cc3)noc2CO)cn1- InChIKey
WQAQWPGJIVSZAC-UHFFFAOYSA-N- Molecular formula
- C20H18FN3O4
- Average molar mass
- 383.4 g/mol
Names & identifiers
- Preferred name
- 5-[3-(4-Fluoro-phenyl)-5-hydroxymethyl-isoxazol-4-ylmethoxy]-pyridine-2-carboxylic acid cyclopropylamide
- IUPAC
- N-cyclopropyl-5-[[3-(4-fluorophenyl)-5-(hydroxymethyl)-1,2-oxazol-4-yl]methoxy]pyridine-2-carboxamide
Names & synonyms
SCHEMBL288627WQAQWPGJIVSZAC-UHFFFAOYSA-N5-[3-(4-Fluoro-phenyl)-5-hydroxymethyl-isoxazol-4-ylmethoxy]-pyridine-2-carboxylic acid cyclopropylamide
Database identifiers
- PubChem CID
- 49804166
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 97.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 528
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Related reactions
1 records
Compound notes
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