5-thiophen-2-yl-3-(thiophen-3-ylmethyl)-1,2,4-oxadiazole

C11H8N2OS2 — CID 10014918

IUPAC5-thiophen-2-yl-3-(thiophen-3-ylmethyl)-1,2,4-oxadiazole
SMILESc1csc(-c2nc(Cc3ccsc3)no2)c1
InChIInChI=1S/C11H8N2OS2/c1-2-9(16-4-1)11-12-10(13-14-11)6-8-3-5-15-7-8/h1-5,7H,6H2
InChIKeyBRGRBIONRNEXKY-UHFFFAOYSA-N
MW248.33 g/mol
LogP3.45
Rot. Bonds3

About 5-thiophen-2-yl-3-(thiophen-3-ylmethyl)-1,2,4-oxadiazole

5-thiophen-2-yl-3-(thiophen-3-ylmethyl)-1,2,4-oxadiazole (PubChem CID 10014918) has the molecular formula C11H8N2OS2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 5-thiophen-2-yl-3-(thiophen-3-ylmethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-thiophen-2-yl-3-(thiophen-3-ylmethyl)-1,2,4-oxadiazole
PubChem CID10014918
Molecular FormulaC11H8N2OS2
Molecular Weight248.33 g/mol
Exact Mass248.01
IUPAC Name5-thiophen-2-yl-3-(thiophen-3-ylmethyl)-1,2,4-oxadiazole
SMILESc1csc(-c2nc(Cc3ccsc3)no2)c1
InChIInChI=1S/C11H8N2OS2/c1-2-9(16-4-1)11-12-10(13-14-11)6-8-3-5-15-7-8/h1-5,7H,6H2
InChIKeyBRGRBIONRNEXKY-UHFFFAOYSA-N
XLogP3.45
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-phenyl-3-(thiophen-2-ylmethyl)-1,2,4-oxadiazole
CID 162656743
5-quinoxalin-5-yl-3-(thiophen-3-ylmethyl)-1,2,4-oxadiazole
CID 28736924
5-(1H-indazol-4-yl)-3-(thiophen-3-ylmethyl)-1,2,4-oxadiazole
CID 166213177
(2R)-2-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methoxy]propanoic acid
CID 104875390
4-fluoro-N-[2-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)ethyl]aniline
CID 1133765
1-[3-(thiophen-3-ylmethyl)-1,2,4-oxadiazol-5-yl]ethanamine;hydrochloride
CID 130762807
2-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methoxy]benzonitrile
CID 37324478
3-phenyl-5-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methylsulfanylmethyl]-1,2,4-oxadiazole
CID 87033525
(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl 4-bromobenzoate
CID 55448997
N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]-1,4-dithiepan-6-amine
CID 131907211
2-methyl-2-[methyl-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]propan-1-ol
CID 115638239
(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl 5-sulfamoylfuran-2-carboxylate
CID 55643790

Frequently Asked Questions

What is the IUPAC name of 5-thiophen-2-yl-3-(thiophen-3-ylmethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-thiophen-2-yl-3-(thiophen-3-ylmethyl)-1,2,4-oxadiazole (CID 10014918) is 5-thiophen-2-yl-3-(thiophen-3-ylmethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-thiophen-2-yl-3-(thiophen-3-ylmethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-thiophen-2-yl-3-(thiophen-3-ylmethyl)-1,2,4-oxadiazole is c1csc(-c2nc(Cc3ccsc3)no2)c1.
What is the InChIKey of 5-thiophen-2-yl-3-(thiophen-3-ylmethyl)-1,2,4-oxadiazole?
The InChIKey is BRGRBIONRNEXKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2OS2/c1-2-9(16-4-1)11-12-10(13-14-11)6-8-3-5-15-7-8/h1-5,7H,6H2.
What are the key properties of 5-thiophen-2-yl-3-(thiophen-3-ylmethyl)-1,2,4-oxadiazole?
5-thiophen-2-yl-3-(thiophen-3-ylmethyl)-1,2,4-oxadiazole has a molecular weight of 248.33 g/mol, XLogP of 3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-thiophen-2-yl-3-(thiophen-3-ylmethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 10014918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).