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

C11H7N3OS — CID 655156

IUPAC2-pyridin-3-yl-5-thiophen-2-yl-1,3,4-oxadiazole
SMILESc1cncc(-c2nnc(-c3cccs3)o2)c1
InChIInChI=1S/C11H7N3OS/c1-3-8(7-12-5-1)10-13-14-11(15-10)9-4-2-6-16-9/h1-7H
InChIKeyFRGKEECEGLJTAW-UHFFFAOYSA-N
MW229.26 g/mol
LogP2.86
Rot. Bonds2

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

2-pyridin-3-yl-5-thiophen-2-yl-1,3,4-oxadiazole (PubChem CID 655156) has the molecular formula C11H7N3OS and a molecular weight of 229.26 g/mol. Its IUPAC name is 2-pyridin-3-yl-5-thiophen-2-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-pyridin-3-yl-5-thiophen-2-yl-1,3,4-oxadiazole
PubChem CID655156
Molecular FormulaC11H7N3OS
Molecular Weight229.26 g/mol
Exact Mass229.03
IUPAC Name2-pyridin-3-yl-5-thiophen-2-yl-1,3,4-oxadiazole
SMILESc1cncc(-c2nnc(-c3cccs3)o2)c1
InChIInChI=1S/C11H7N3OS/c1-3-8(7-12-5-1)10-13-14-11(15-10)9-4-2-6-16-9/h1-7H
InChIKeyFRGKEECEGLJTAW-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 2-pyridin-3-yl-5-thiophen-2-yl-1,3,4-oxadiazole?
The IUPAC name of 2-pyridin-3-yl-5-thiophen-2-yl-1,3,4-oxadiazole (CID 655156) is 2-pyridin-3-yl-5-thiophen-2-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-pyridin-3-yl-5-thiophen-2-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-pyridin-3-yl-5-thiophen-2-yl-1,3,4-oxadiazole is c1cncc(-c2nnc(-c3cccs3)o2)c1.
What is the InChIKey of 2-pyridin-3-yl-5-thiophen-2-yl-1,3,4-oxadiazole?
The InChIKey is FRGKEECEGLJTAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7N3OS/c1-3-8(7-12-5-1)10-13-14-11(15-10)9-4-2-6-16-9/h1-7H.
What are the key properties of 2-pyridin-3-yl-5-thiophen-2-yl-1,3,4-oxadiazole?
2-pyridin-3-yl-5-thiophen-2-yl-1,3,4-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 2-pyridin-3-yl-5-thiophen-2-yl-1,3,4-oxadiazole is sourced from PubChem (CID 655156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).