Basic information
- Standard SMILES
Nc1ncccc1-c1cc(Cc2ccc(OCc3cccc(F)c3)cc2)no1- InChIKey
WLDMQYQJNUGIFB-UHFFFAOYSA-N- Molecular formula
- C22H18FN3O2
- Average molar mass
- 375.4 g/mol
Names & identifiers
- Preferred name
- 3-(3-(4-(3-Fluoro-benzyloxy)-benzyl)-isoxazol-5-yl)-pyridin-2-ylamine
- IUPAC
- 3-[3-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine
Names & synonyms
SCHEMBL511003SCHEMBL30025809WLDMQYQJNUGIFB-UHFFFAOYSA-N3(3-(4-(3-Fluoro-benzyloxy)-benzyl)-isoxazol-5-yl)-pyridin-2-ylamine3-(3-(4-(3-Fluoro-benzyloxy)-benzyl)-isoxazol-5-yl)-pyridin-2-ylamine
Database identifiers
- PubChem CID
- 57626348
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 74.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 475
Related reactions
6 records
Compound notes
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