PSN632408   Click here for help

GtoPdb Ligand ID: 3319

Synonyms: PSN 632408 | PSN-632,408 | PSN-632408
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 6
Hydrogen bond donors 0
Rotatable bonds 7
Topological polar surface area 90.58
Molecular weight 360.18
XLogP 2.27
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES O=C(N1CCC(CC1)OCc1onc(n1)c1ccncc1)OC(C)(C)C
Isomeric SMILES O=C(N1CCC(CC1)OCc1onc(n1)c1ccncc1)OC(C)(C)C
InChI InChI=1S/C18H24N4O4/c1-18(2,3)25-17(23)22-10-6-14(7-11-22)24-12-15-20-16(21-26-15)13-4-8-19-9-5-13/h4-5,8-9,14H,6-7,10-12H2,1-3H3
InChI Key LHZWKWCEAXQUMX-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
tert-butyl 4-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methoxy]piperidine-1-carboxylate
Synonyms Click here for help
PSN 632408 | PSN-632,408 | PSN-632408
Database Links Click here for help
CAS Registry No. 857652-30-3 (source: Scifinder)
ChEMBL Ligand CHEMBL1081913
GtoPdb PubChem SID 178100353
PubChem CID 11462546
Search Google for chemical match using the InChIKey LHZWKWCEAXQUMX-UHFFFAOYSA-N
Search Google for chemicals with the same backbone LHZWKWCEAXQUMX
Search UniChem for chemical match using the InChIKey LHZWKWCEAXQUMX-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone LHZWKWCEAXQUMX
Wikipedia PSN632408