3-[(E)-2-thiophen-2-ylethenyl]-1,2,4-oxadiazole

C8H6N2OS — CID 21448189

IUPAC3-[(E)-2-thiophen-2-ylethenyl]-1,2,4-oxadiazole
SMILESC(=C/c1cccs1)\c1ncon1
InChIInChI=1S/C8H6N2OS/c1-2-7(12-5-1)3-4-8-9-6-11-10-8/h1-6H/b4-3+
InChIKeyXFMNRFSLDXKGPE-ONEGZZNKSA-N
MW178.22 g/mol
LogP2.30
Rot. Bonds2

About 3-[(E)-2-thiophen-2-ylethenyl]-1,2,4-oxadiazole

3-[(E)-2-thiophen-2-ylethenyl]-1,2,4-oxadiazole (PubChem CID 21448189) has the molecular formula C8H6N2OS and a molecular weight of 178.22 g/mol. Its IUPAC name is 3-[(E)-2-thiophen-2-ylethenyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[(E)-2-thiophen-2-ylethenyl]-1,2,4-oxadiazole
PubChem CID21448189
Molecular FormulaC8H6N2OS
Molecular Weight178.22 g/mol
Exact Mass178.02
IUPAC Name3-[(E)-2-thiophen-2-ylethenyl]-1,2,4-oxadiazole
SMILESC(=C/c1cccs1)\c1ncon1
InChIInChI=1S/C8H6N2OS/c1-2-7(12-5-1)3-4-8-9-6-11-10-8/h1-6H/b4-3+
InChIKeyXFMNRFSLDXKGPE-ONEGZZNKSA-N
XLogP2.30
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.22
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-thiophen-2-ylethenyl]-1,2,4-oxadiazole?
The IUPAC name of 3-[(E)-2-thiophen-2-ylethenyl]-1,2,4-oxadiazole (CID 21448189) is 3-[(E)-2-thiophen-2-ylethenyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-[(E)-2-thiophen-2-ylethenyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-[(E)-2-thiophen-2-ylethenyl]-1,2,4-oxadiazole is C(=C/c1cccs1)\c1ncon1.
What is the InChIKey of 3-[(E)-2-thiophen-2-ylethenyl]-1,2,4-oxadiazole?
The InChIKey is XFMNRFSLDXKGPE-ONEGZZNKSA-N. The full InChI is InChI=1S/C8H6N2OS/c1-2-7(12-5-1)3-4-8-9-6-11-10-8/h1-6H/b4-3+.
What are the key properties of 3-[(E)-2-thiophen-2-ylethenyl]-1,2,4-oxadiazole?
3-[(E)-2-thiophen-2-ylethenyl]-1,2,4-oxadiazole has a molecular weight of 178.22 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-thiophen-2-ylethenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 21448189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).