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

C9H11N3O — CID 14898765

IUPAC3-ethenyl-5-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-oxadiazole
SMILESC=Cc1noc(C2=CCCNC2)n1
InChIInChI=1S/C9H11N3O/c1-2-8-11-9(13-12-8)7-4-3-5-10-6-7/h2,4,10H,1,3,5-6H2
InChIKeyHUVOSPYPDADULA-UHFFFAOYSA-N
MW177.21 g/mol
LogP1.09
Rot. Bonds2

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

3-ethenyl-5-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-oxadiazole (PubChem CID 14898765) has the molecular formula C9H11N3O and a molecular weight of 177.21 g/mol. Its IUPAC name is 3-ethenyl-5-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-ethenyl-5-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-oxadiazole
PubChem CID14898765
Molecular FormulaC9H11N3O
Molecular Weight177.21 g/mol
Exact Mass177.09
IUPAC Name3-ethenyl-5-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-oxadiazole
SMILESC=Cc1noc(C2=CCCNC2)n1
InChIInChI=1S/C9H11N3O/c1-2-8-11-9(13-12-8)7-4-3-5-10-6-7/h2,4,10H,1,3,5-6H2
InChIKeyHUVOSPYPDADULA-UHFFFAOYSA-N
XLogP1.09
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-Methyl-5-(1-methyl-1,2,5,6-tetrahydropyridin-3-yl)-1,2,4-oxadiazole
CID 14235519
3-Methyl-5-(1,2,5,6-tetrahydropyridin-3-yl)-1,2,4-oxadiazole
CID 14742597
5-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,4-oxadiazol-3-amine
CID 14742601
3-Butyl-5-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-oxadiazole
CID 14801695
3-butyl-5-(1-ethyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,4-oxadiazole
CID 14801696
3-Butyl-5-(3-methyl-1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-oxadiazole
CID 14801697
3-butyl-5-(1,2-dimethyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,4-oxadiazole
CID 14801698
3-Ethyl-5-(1,2,5,6-tetrahydropyridin-3-yl)-1,2,4-oxadiazole
CID 14898757
N,N-dimethyl-5-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-oxadiazol-3-amine
CID 14898759
5-(1,2-dimethyl-3,6-dihydro-2H-pyridin-5-yl)-3-methyl-1,2,4-oxadiazole
CID 14898779
3-Methyl-5-(3-methyl-1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-oxadiazole
CID 14898787
5-(1,3-dimethyl-3,6-dihydro-2H-pyridin-5-yl)-3-methyl-1,2,4-oxadiazole
CID 14898792

Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-5-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-ethenyl-5-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-oxadiazole (CID 14898765) is 3-ethenyl-5-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-ethenyl-5-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-ethenyl-5-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-oxadiazole is C=Cc1noc(C2=CCCNC2)n1.
What is the InChIKey of 3-ethenyl-5-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-oxadiazole?
The InChIKey is HUVOSPYPDADULA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O/c1-2-8-11-9(13-12-8)7-4-3-5-10-6-7/h2,4,10H,1,3,5-6H2.
What are the key properties of 3-ethenyl-5-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-oxadiazole?
3-ethenyl-5-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-oxadiazole has a molecular weight of 177.21 g/mol, XLogP of 1.09, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-5-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 14898765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).