3-methyl-5-pyridin-4-yl-1,2,4-oxadiazole

C8H7N3O — CID 21025706

IUPAC3-methyl-5-pyridin-4-yl-1,2,4-oxadiazole
SMILESCc1noc(-c2ccncc2)n1
InChIInChI=1S/C8H7N3O/c1-6-10-8(12-11-6)7-2-4-9-5-3-7/h2-5H,1H3
InChIKeyUTDAFKFEIXDFSW-UHFFFAOYSA-N
MW161.16 g/mol
LogP1.44
Rot. Bonds1

About 3-methyl-5-pyridin-4-yl-1,2,4-oxadiazole

3-methyl-5-pyridin-4-yl-1,2,4-oxadiazole (PubChem CID 21025706) has the molecular formula C8H7N3O and a molecular weight of 161.16 g/mol. Its IUPAC name is 3-methyl-5-pyridin-4-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-methyl-5-pyridin-4-yl-1,2,4-oxadiazole
PubChem CID21025706
Molecular FormulaC8H7N3O
Molecular Weight161.16 g/mol
Exact Mass161.06
IUPAC Name3-methyl-5-pyridin-4-yl-1,2,4-oxadiazole
SMILESCc1noc(-c2ccncc2)n1
InChIInChI=1S/C8H7N3O/c1-6-10-8(12-11-6)7-2-4-9-5-3-7/h2-5H,1H3
InChIKeyUTDAFKFEIXDFSW-UHFFFAOYSA-N
XLogP1.44
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-pyridin-4-yl-1,2,4-oxadiazole?
The IUPAC name of 3-methyl-5-pyridin-4-yl-1,2,4-oxadiazole (CID 21025706) is 3-methyl-5-pyridin-4-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-methyl-5-pyridin-4-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-methyl-5-pyridin-4-yl-1,2,4-oxadiazole is Cc1noc(-c2ccncc2)n1.
What is the InChIKey of 3-methyl-5-pyridin-4-yl-1,2,4-oxadiazole?
The InChIKey is UTDAFKFEIXDFSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O/c1-6-10-8(12-11-6)7-2-4-9-5-3-7/h2-5H,1H3.
What are the key properties of 3-methyl-5-pyridin-4-yl-1,2,4-oxadiazole?
3-methyl-5-pyridin-4-yl-1,2,4-oxadiazole has a molecular weight of 161.16 g/mol, XLogP of 1.44, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-pyridin-4-yl-1,2,4-oxadiazole is sourced from PubChem (CID 21025706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).