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

C8H11N3O — CID 14742597

IUPAC3-methyl-5-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-oxadiazole
SMILESCc1noc(C2=CCCNC2)n1
InChIInChI=1S/C8H11N3O/c1-6-10-8(12-11-6)7-3-2-4-9-5-7/h3,9H,2,4-5H2,1H3
InChIKeyPEWBVSNHYPKIQA-UHFFFAOYSA-N
MW165.20 g/mol
LogP0.75
Rot. Bonds1

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

3-methyl-5-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-oxadiazole (PubChem CID 14742597) has the molecular formula C8H11N3O and a molecular weight of 165.20 g/mol. Its IUPAC name is 3-methyl-5-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-methyl-5-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-oxadiazole
PubChem CID14742597
Molecular FormulaC8H11N3O
Molecular Weight165.20 g/mol
Exact Mass165.09
IUPAC Name3-methyl-5-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-oxadiazole
SMILESCc1noc(C2=CCCNC2)n1
InChIInChI=1S/C8H11N3O/c1-6-10-8(12-11-6)7-3-2-4-9-5-7/h3,9H,2,4-5H2,1H3
InChIKeyPEWBVSNHYPKIQA-UHFFFAOYSA-N
XLogP0.75
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.20
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-methyl-5-(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-methyl-5-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-methyl-5-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-oxadiazole (CID 14742597) is 3-methyl-5-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-methyl-5-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-methyl-5-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-oxadiazole is Cc1noc(C2=CCCNC2)n1.
What is the InChIKey of 3-methyl-5-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-oxadiazole?
The InChIKey is PEWBVSNHYPKIQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O/c1-6-10-8(12-11-6)7-3-2-4-9-5-7/h3,9H,2,4-5H2,1H3.
What are the key properties of 3-methyl-5-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-oxadiazole?
3-methyl-5-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-oxadiazole has a molecular weight of 165.20 g/mol, XLogP of 0.75, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 14742597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).