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

C11H7N3OS — CID 699625

IUPAC3-pyridin-4-yl-5-thiophen-2-yl-1,2,4-oxadiazole
SMILESc1csc(-c2nc(-c3ccncc3)no2)c1
InChIInChI=1S/C11H7N3OS/c1-2-9(16-7-1)11-13-10(14-15-11)8-3-5-12-6-4-8/h1-7H
InChIKeyWCXPLOTWKLFABR-UHFFFAOYSA-N
MW229.26 g/mol
LogP2.86
Rot. Bonds2

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

3-pyridin-4-yl-5-thiophen-2-yl-1,2,4-oxadiazole (PubChem CID 699625) has the molecular formula C11H7N3OS and a molecular weight of 229.26 g/mol. Its IUPAC name is 3-pyridin-4-yl-5-thiophen-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-pyridin-4-yl-5-thiophen-2-yl-1,2,4-oxadiazole
PubChem CID699625
Molecular FormulaC11H7N3OS
Molecular Weight229.26 g/mol
Exact Mass229.03
IUPAC Name3-pyridin-4-yl-5-thiophen-2-yl-1,2,4-oxadiazole
SMILESc1csc(-c2nc(-c3ccncc3)no2)c1
InChIInChI=1S/C11H7N3OS/c1-2-9(16-7-1)11-13-10(14-15-11)8-3-5-12-6-4-8/h1-7H
InChIKeyWCXPLOTWKLFABR-UHFFFAOYSA-N
XLogP2.86
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.26
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-pyridin-4-yl-5-thiophen-2-yl-1,2,4-oxadiazole?
The IUPAC name of 3-pyridin-4-yl-5-thiophen-2-yl-1,2,4-oxadiazole (CID 699625) is 3-pyridin-4-yl-5-thiophen-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-pyridin-4-yl-5-thiophen-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-pyridin-4-yl-5-thiophen-2-yl-1,2,4-oxadiazole is c1csc(-c2nc(-c3ccncc3)no2)c1.
What is the InChIKey of 3-pyridin-4-yl-5-thiophen-2-yl-1,2,4-oxadiazole?
The InChIKey is WCXPLOTWKLFABR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7N3OS/c1-2-9(16-7-1)11-13-10(14-15-11)8-3-5-12-6-4-8/h1-7H.
What are the key properties of 3-pyridin-4-yl-5-thiophen-2-yl-1,2,4-oxadiazole?
3-pyridin-4-yl-5-thiophen-2-yl-1,2,4-oxadiazole has a molecular weight of 229.26 g/mol, XLogP of 2.86, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-4-yl-5-thiophen-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 699625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).