3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,4-oxadiazole

C8H11N3O — CID 142672393

IUPAC3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,4-oxadiazole
SMILESCN1CCC=C(c2ncon2)C1
InChIInChI=1S/C8H11N3O/c1-11-4-2-3-7(5-11)8-9-6-12-10-8/h3,6H,2,4-5H2,1H3
InChIKeyCNNBKJBLDDUOFL-UHFFFAOYSA-N
MW165.20 g/mol
LogP0.79
Rot. Bonds1

About 3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,4-oxadiazole

3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,4-oxadiazole (PubChem CID 142672393) has the molecular formula C8H11N3O and a molecular weight of 165.20 g/mol. Its IUPAC name is 3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,4-oxadiazole
PubChem CID142672393
Molecular FormulaC8H11N3O
Molecular Weight165.20 g/mol
Exact Mass165.09
IUPAC Name3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,4-oxadiazole
SMILESCN1CCC=C(c2ncon2)C1
InChIInChI=1S/C8H11N3O/c1-11-4-2-3-7(5-11)8-9-6-12-10-8/h3,6H,2,4-5H2,1H3
InChIKeyCNNBKJBLDDUOFL-UHFFFAOYSA-N
XLogP0.79
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.20
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,4-oxadiazole (CID 142672393) is 3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,4-oxadiazole is CN1CCC=C(c2ncon2)C1.
What is the InChIKey of 3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,4-oxadiazole?
The InChIKey is CNNBKJBLDDUOFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O/c1-11-4-2-3-7(5-11)8-9-6-12-10-8/h3,6H,2,4-5H2,1H3.
What are the key properties of 3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,4-oxadiazole?
3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,4-oxadiazole has a molecular weight of 165.20 g/mol, XLogP of 0.79, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 142672393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).