3-ethenyl-5-(3-methyl-1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-oxadiazole

C10H13N3O — CID 23056710

IUPAC3-ethenyl-5-(3-methyl-1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-oxadiazole
SMILESC=Cc1noc(C2=CC(C)CNC2)n1
InChIInChI=1S/C10H13N3O/c1-3-9-12-10(14-13-9)8-4-7(2)5-11-6-8/h3-4,7,11H,1,5-6H2,2H3
InChIKeyYRFPPOCFDYORTL-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.34
Rot. Bonds2

About 3-ethenyl-5-(3-methyl-1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-oxadiazole

3-ethenyl-5-(3-methyl-1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-oxadiazole (PubChem CID 23056710) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is 3-ethenyl-5-(3-methyl-1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-ethenyl-5-(3-methyl-1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-oxadiazole
PubChem CID23056710
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name3-ethenyl-5-(3-methyl-1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-oxadiazole
SMILESC=Cc1noc(C2=CC(C)CNC2)n1
InChIInChI=1S/C10H13N3O/c1-3-9-12-10(14-13-9)8-4-7(2)5-11-6-8/h3-4,7,11H,1,5-6H2,2H3
InChIKeyYRFPPOCFDYORTL-UHFFFAOYSA-N
XLogP1.34
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-5-(3-methyl-1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-ethenyl-5-(3-methyl-1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-oxadiazole (CID 23056710) is 3-ethenyl-5-(3-methyl-1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-ethenyl-5-(3-methyl-1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-ethenyl-5-(3-methyl-1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-oxadiazole is C=Cc1noc(C2=CC(C)CNC2)n1.
What is the InChIKey of 3-ethenyl-5-(3-methyl-1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-oxadiazole?
The InChIKey is YRFPPOCFDYORTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c1-3-9-12-10(14-13-9)8-4-7(2)5-11-6-8/h3-4,7,11H,1,5-6H2,2H3.
What are the key properties of 3-ethenyl-5-(3-methyl-1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-oxadiazole?
3-ethenyl-5-(3-methyl-1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-oxadiazole has a molecular weight of 191.23 g/mol, XLogP of 1.34, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-5-(3-methyl-1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 23056710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).