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

C11H7N3OS — CID 4916164

IUPAC5-pyridin-3-yl-3-thiophen-2-yl-1,2,4-oxadiazole
SMILESc1cncc(-c2nc(-c3cccs3)no2)c1
InChIInChI=1S/C11H7N3OS/c1-3-8(7-12-5-1)11-13-10(14-15-11)9-4-2-6-16-9/h1-7H
InChIKeyYWJZRAHEPABBHR-UHFFFAOYSA-N
MW229.26 g/mol
LogP2.86
Rot. Bonds2

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

5-pyridin-3-yl-3-thiophen-2-yl-1,2,4-oxadiazole (PubChem CID 4916164) has the molecular formula C11H7N3OS and a molecular weight of 229.26 g/mol. Its IUPAC name is 5-pyridin-3-yl-3-thiophen-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-pyridin-3-yl-3-thiophen-2-yl-1,2,4-oxadiazole
PubChem CID4916164
Molecular FormulaC11H7N3OS
Molecular Weight229.26 g/mol
Exact Mass229.03
IUPAC Name5-pyridin-3-yl-3-thiophen-2-yl-1,2,4-oxadiazole
SMILESc1cncc(-c2nc(-c3cccs3)no2)c1
InChIInChI=1S/C11H7N3OS/c1-3-8(7-12-5-1)11-13-10(14-15-11)9-4-2-6-16-9/h1-7H
InChIKeyYWJZRAHEPABBHR-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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Related Compounds

1,2,4-Oxadiazole, 3,5-bis(3-pyridinyl)-
CID 577830
N-[4-(5-thien-2-yl-1,2,4-oxadiazol-3-yl)phenyl]nicotinamide
CID 3240032
2-Ethoxy-3-(3-thien-2-yl-1,2,4-oxadiazol-5-yl)pyridine
CID 5302863
4-[5-(2-Ethylsulfanyl-phenyl)-[1,2,4]oxadiazol-3-yl]-pyridine
CID 6462894
3-Phenyl-5-(3-pyridyl)-1,2,4-oxadiazole
CID 1122276
2-Chloro-5-[5-(3-chloro-thiophen-2-yl)-[1,2,4]oxadiazol-3-yl]-pyridine
CID 9966013
2-[5-(3-Chloro-thiophen-2-yl)-[1,2,4]oxadiazol-3-yl]-5-trifluoromethyl-pyridine
CID 9967365
5-[5-(3-Chloro-thiophen-2-yl)-[1,2,4]oxadiazol-3-yl]-2-trifluoromethyl-pyridine
CID 9967366
2,2,2-Trifluoro-1-(5-(3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl)thiophen-2-yl)ethanone
CID 44562767
2,2,2-Trifluoro-1-(5-(3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl)thiophen-2-yl)ethanone
CID 44562798
3-Pyridin-2-yl-5-thiophen-2-yl-1,2,4-oxadiazole
CID 699629
3-Pyridin-4-yl-5-thiophen-2-yl-1,2,4-oxadiazole
CID 699625

Frequently Asked Questions

What is the IUPAC name of 5-pyridin-3-yl-3-thiophen-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-pyridin-3-yl-3-thiophen-2-yl-1,2,4-oxadiazole (CID 4916164) is 5-pyridin-3-yl-3-thiophen-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-pyridin-3-yl-3-thiophen-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-pyridin-3-yl-3-thiophen-2-yl-1,2,4-oxadiazole is c1cncc(-c2nc(-c3cccs3)no2)c1.
What is the InChIKey of 5-pyridin-3-yl-3-thiophen-2-yl-1,2,4-oxadiazole?
The InChIKey is YWJZRAHEPABBHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7N3OS/c1-3-8(7-12-5-1)11-13-10(14-15-11)9-4-2-6-16-9/h1-7H.
What are the key properties of 5-pyridin-3-yl-3-thiophen-2-yl-1,2,4-oxadiazole?
5-pyridin-3-yl-3-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 5-pyridin-3-yl-3-thiophen-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 4916164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).