Basic information
- Standard SMILES
Nc1ccc(-c2cc(Cc3ccc(Oc4ccc(F)cc4)nc3)no2)cn1- InChIKey
YSMKZKOQCVSGPP-UHFFFAOYSA-N- Molecular formula
- C20H15FN4O2
- Average molar mass
- 362.4 g/mol
Names & identifiers
- Preferred name
- 5-(3-(6-(4-Fluoro-phenoxy)-pyridin-3-ylmethyl)-isoxazol-5-yl)-pyridin-2-ylamine
- IUPAC
- 5-[3-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine
Names & synonyms
SCHEMBL510647YSMKZKOQCVSGPP-UHFFFAOYSA-N5-(3-(6-(4-Fluoro-phenoxy)-pyridin-3-ylmethyl)-isoxazol-5-yl)-pyridin-2-ylamine
Database identifiers
- PubChem CID
- 59255407
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 87.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 463
Related reactions
5 records
Compound notes
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