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

C10H15N3O — CID 23047513

IUPAC3-ethyl-5-(3-methyl-1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-oxadiazole
SMILESCCc1noc(C2=CC(C)CNC2)n1
InChIInChI=1S/C10H15N3O/c1-3-9-12-10(14-13-9)8-4-7(2)5-11-6-8/h4,7,11H,3,5-6H2,1-2H3
InChIKeyYZJIANHNGBXICX-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.25
Rot. Bonds2

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

3-ethyl-5-(3-methyl-1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-oxadiazole (PubChem CID 23047513) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is 3-ethyl-5-(3-methyl-1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-ethyl-5-(3-methyl-1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-oxadiazole
PubChem CID23047513
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name3-ethyl-5-(3-methyl-1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-oxadiazole
SMILESCCc1noc(C2=CC(C)CNC2)n1
InChIInChI=1S/C10H15N3O/c1-3-9-12-10(14-13-9)8-4-7(2)5-11-6-8/h4,7,11H,3,5-6H2,1-2H3
InChIKeyYZJIANHNGBXICX-UHFFFAOYSA-N
XLogP1.25
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-ethyl-5-(3-methyl-1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-(3-methyl-1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-ethyl-5-(3-methyl-1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-oxadiazole (CID 23047513) is 3-ethyl-5-(3-methyl-1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-ethyl-5-(3-methyl-1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-ethyl-5-(3-methyl-1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-oxadiazole is CCc1noc(C2=CC(C)CNC2)n1.
What is the InChIKey of 3-ethyl-5-(3-methyl-1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-oxadiazole?
The InChIKey is YZJIANHNGBXICX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c1-3-9-12-10(14-13-9)8-4-7(2)5-11-6-8/h4,7,11H,3,5-6H2,1-2H3.
What are the key properties of 3-ethyl-5-(3-methyl-1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-oxadiazole?
3-ethyl-5-(3-methyl-1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-oxadiazole has a molecular weight of 193.25 g/mol, XLogP of 1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-(3-methyl-1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 23047513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).