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

C8H8N2OS — CID 58089077

IUPAC3-ethyl-5-thiophen-2-yl-1,2,4-oxadiazole
SMILESCCc1noc(-c2cccs2)n1
InChIInChI=1S/C8H8N2OS/c1-2-7-9-8(11-10-7)6-4-3-5-12-6/h3-5H,2H2,1H3
InChIKeyABKNQRQCTDGCCA-UHFFFAOYSA-N
MW180.23 g/mol
LogP2.36
Rot. Bonds2

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

3-ethyl-5-thiophen-2-yl-1,2,4-oxadiazole (PubChem CID 58089077) has the molecular formula C8H8N2OS and a molecular weight of 180.23 g/mol. Its IUPAC name is 3-ethyl-5-thiophen-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-ethyl-5-thiophen-2-yl-1,2,4-oxadiazole
PubChem CID58089077
Molecular FormulaC8H8N2OS
Molecular Weight180.23 g/mol
Exact Mass180.04
IUPAC Name3-ethyl-5-thiophen-2-yl-1,2,4-oxadiazole
SMILESCCc1noc(-c2cccs2)n1
InChIInChI=1S/C8H8N2OS/c1-2-7-9-8(11-10-7)6-4-3-5-12-6/h3-5H,2H2,1H3
InChIKeyABKNQRQCTDGCCA-UHFFFAOYSA-N
XLogP2.36
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.23
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-thiophen-2-yl-1,2,4-oxadiazole?
The IUPAC name of 3-ethyl-5-thiophen-2-yl-1,2,4-oxadiazole (CID 58089077) is 3-ethyl-5-thiophen-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-ethyl-5-thiophen-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-ethyl-5-thiophen-2-yl-1,2,4-oxadiazole is CCc1noc(-c2cccs2)n1.
What is the InChIKey of 3-ethyl-5-thiophen-2-yl-1,2,4-oxadiazole?
The InChIKey is ABKNQRQCTDGCCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2OS/c1-2-7-9-8(11-10-7)6-4-3-5-12-6/h3-5H,2H2,1H3.
What are the key properties of 3-ethyl-5-thiophen-2-yl-1,2,4-oxadiazole?
3-ethyl-5-thiophen-2-yl-1,2,4-oxadiazole has a molecular weight of 180.23 g/mol, XLogP of 2.36, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-thiophen-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 58089077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).