3-(3-(4-(3-Fluoro-benzyloxy)-benzyl)-isoxazol-5-yl)-pyridin-2-ylamine

HCID 57626348

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

Related reactions

6 records

Compound notes

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