PSN375963   Click here for help

GtoPdb Ligand ID: 3318

Synonyms: PSN 375963 | PSN-375,963 | PSN-375963
Compound class: Synthetic organic
Click here for help
2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
Hydrogen bond acceptors 2
Hydrogen bond donors 0
Rotatable bonds 5
Topological polar surface area 51.81
Molecular weight 285.18
XLogP 5.26
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
Click here for help
Canonical SMILES CCCCC1CCC(CC1)c1onc(n1)c1ccncc1
Isomeric SMILES CCCCC1CCC(CC1)c1onc(n1)c1ccncc1
InChI InChI=1S/C17H23N3O/c1-2-3-4-13-5-7-15(8-6-13)17-19-16(20-21-17)14-9-11-18-12-10-14/h9-13,15H,2-8H2,1H3
InChI Key OAVLEYPTWABFLF-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
4-[5-(4-butylcyclohexyl)-1,2,4-oxadiazol-3-yl]pyridine
Synonyms Click here for help
PSN 375963 | PSN-375,963 | PSN-375963
Database Links Click here for help
CAS Registry No. 388575-52-8 (source: Scifinder)
GtoPdb PubChem SID 178100352
PubChem CID 2875918
Search Google for chemical match using the InChIKey OAVLEYPTWABFLF-UHFFFAOYSA-N
Search Google for chemicals with the same backbone OAVLEYPTWABFLF
Search UniChem for chemical match using the InChIKey OAVLEYPTWABFLF-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone OAVLEYPTWABFLF
Wikipedia PSN375963