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

C8H7N3O — CID 25192

IUPAC5-methyl-3-pyridin-3-yl-1,2,4-oxadiazole
SMILESCc1nc(-c2cccnc2)no1
InChIInChI=1S/C8H7N3O/c1-6-10-8(11-12-6)7-3-2-4-9-5-7/h2-5H,1H3
InChIKeyUPZLTNFTZQZHHR-UHFFFAOYSA-N
MW161.16 g/mol
LogP1.44
Rot. Bonds1

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

5-methyl-3-pyridin-3-yl-1,2,4-oxadiazole (PubChem CID 25192) has the molecular formula C8H7N3O and a molecular weight of 161.16 g/mol. Its IUPAC name is 5-methyl-3-pyridin-3-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-methyl-3-pyridin-3-yl-1,2,4-oxadiazole
PubChem CID25192
Molecular FormulaC8H7N3O
Molecular Weight161.16 g/mol
Exact Mass161.06
IUPAC Name5-methyl-3-pyridin-3-yl-1,2,4-oxadiazole
SMILESCc1nc(-c2cccnc2)no1
InChIInChI=1S/C8H7N3O/c1-6-10-8(11-12-6)7-3-2-4-9-5-7/h2-5H,1H3
InChIKeyUPZLTNFTZQZHHR-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 5-methyl-3-pyridin-3-yl-1,2,4-oxadiazole?
The IUPAC name of 5-methyl-3-pyridin-3-yl-1,2,4-oxadiazole (CID 25192) is 5-methyl-3-pyridin-3-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-methyl-3-pyridin-3-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-methyl-3-pyridin-3-yl-1,2,4-oxadiazole is Cc1nc(-c2cccnc2)no1.
What is the InChIKey of 5-methyl-3-pyridin-3-yl-1,2,4-oxadiazole?
The InChIKey is UPZLTNFTZQZHHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O/c1-6-10-8(11-12-6)7-3-2-4-9-5-7/h2-5H,1H3.
What are the key properties of 5-methyl-3-pyridin-3-yl-1,2,4-oxadiazole?
5-methyl-3-pyridin-3-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 5-methyl-3-pyridin-3-yl-1,2,4-oxadiazole is sourced from PubChem (CID 25192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).