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

C7H5N3O — CID 14763501

IUPAC5-pyridin-3-yl-1,2,4-oxadiazole
SMILESc1cncc(-c2ncno2)c1
InChIInChI=1S/C7H5N3O/c1-2-6(4-8-3-1)7-9-5-10-11-7/h1-5H
InChIKeyWPSIEWINXDEPSV-UHFFFAOYSA-N
MW147.14 g/mol
LogP1.13
Rot. Bonds1

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

5-pyridin-3-yl-1,2,4-oxadiazole (PubChem CID 14763501) has the molecular formula C7H5N3O and a molecular weight of 147.14 g/mol. Its IUPAC name is 5-pyridin-3-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-pyridin-3-yl-1,2,4-oxadiazole
PubChem CID14763501
Molecular FormulaC7H5N3O
Molecular Weight147.14 g/mol
Exact Mass147.04
IUPAC Name5-pyridin-3-yl-1,2,4-oxadiazole
SMILESc1cncc(-c2ncno2)c1
InChIInChI=1S/C7H5N3O/c1-2-6(4-8-3-1)7-9-5-10-11-7/h1-5H
InChIKeyWPSIEWINXDEPSV-UHFFFAOYSA-N
XLogP1.13
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.14
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-pyridin-3-yl-1,2,4-oxadiazole?
The IUPAC name of 5-pyridin-3-yl-1,2,4-oxadiazole (CID 14763501) is 5-pyridin-3-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-pyridin-3-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-pyridin-3-yl-1,2,4-oxadiazole is c1cncc(-c2ncno2)c1.
What is the InChIKey of 5-pyridin-3-yl-1,2,4-oxadiazole?
The InChIKey is WPSIEWINXDEPSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N3O/c1-2-6(4-8-3-1)7-9-5-10-11-7/h1-5H.
What are the key properties of 5-pyridin-3-yl-1,2,4-oxadiazole?
5-pyridin-3-yl-1,2,4-oxadiazole has a molecular weight of 147.14 g/mol, XLogP of 1.13, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyridin-3-yl-1,2,4-oxadiazole is sourced from PubChem (CID 14763501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).