5-[2-(4-methoxyphenyl)ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole

C15H14N2O2S — CID 6458425

IUPAC5-[2-(4-methoxyphenyl)ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole
SMILESCOc1ccc(CCc2nc(-c3cccs3)no2)cc1
InChIInChI=1S/C15H14N2O2S/c1-18-12-7-4-11(5-8-12)6-9-14-16-15(17-19-14)13-3-2-10-20-13/h2-5,7-8,10H,6,9H2,1H3
InChIKeyWEHWMGGFDWRBAO-UHFFFAOYSA-N
MW286.36 g/mol
LogP3.59
Rot. Bonds5

About 5-[2-(4-methoxyphenyl)ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole

5-[2-(4-methoxyphenyl)ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole (PubChem CID 6458425) has the molecular formula C15H14N2O2S and a molecular weight of 286.36 g/mol. Its IUPAC name is 5-[2-(4-methoxyphenyl)ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[2-(4-methoxyphenyl)ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole
PubChem CID6458425
Molecular FormulaC15H14N2O2S
Molecular Weight286.36 g/mol
Exact Mass286.08
IUPAC Name5-[2-(4-methoxyphenyl)ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole
SMILESCOc1ccc(CCc2nc(-c3cccs3)no2)cc1
InChIInChI=1S/C15H14N2O2S/c1-18-12-7-4-11(5-8-12)6-9-14-16-15(17-19-14)13-3-2-10-20-13/h2-5,7-8,10H,6,9H2,1H3
InChIKeyWEHWMGGFDWRBAO-UHFFFAOYSA-N
XLogP3.59
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-(2-Methoxyphenyl)-1,2,4-oxadiazol-5-yl]thiophene-2-sulfonamide
CID 155558641
5-(4-Methoxyphenyl)-3-thiophen-2-yl-1,2,4-oxadiazole
CID 718725
5-(3-Methoxyphenyl)-3-(2-thienyl)-1,2,4-oxadiazole
CID 718728
3-(3,4-Dimethoxyphenyl)-5-(thiophen-2-yl)-1,2,4-oxadiazole
CID 1221653
4-[(5-Thiophen-3-yl-1,2,4-oxadiazol-3-yl)methoxy]benzonitrile
CID 2739643
5-(3,5-Dimethoxyphenyl)-3-(thiophen-2-yl)-1,2,4-oxadiazole
CID 4916161
3-(2-Methoxyphenyl)-5-(thiophen-2-yl)-1,2,4-oxadiazole
CID 1870209
5-(3-Chloro-thiophen-2-yl)-3-(4-methoxy-phenyl)-[1,2,4]oxadiazole
CID 9922120
5-(3-Chloro-thiophen-2-yl)-3-(4-trifluoromethoxy-phenyl)-[1,2,4]oxadiazole
CID 10132392
{3-[3-(4-Methoxy-phenyl)-[1,2,4]oxadiazol-5-yl]-piperidin-1-yl}-thiophen-2-yl-methanone
CID 646922
3-(3-Methoxyphenyl)-5-(thiophen-2-yl)-1,2,4-oxadiazole
CID 665971
5-(3,4-Dimethoxybenzyl)-3-(thiophen-2-yl)-1,2,4-oxadiazole
CID 718697

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-methoxyphenyl)ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[2-(4-methoxyphenyl)ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole (CID 6458425) is 5-[2-(4-methoxyphenyl)ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[2-(4-methoxyphenyl)ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[2-(4-methoxyphenyl)ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole is COc1ccc(CCc2nc(-c3cccs3)no2)cc1.
What is the InChIKey of 5-[2-(4-methoxyphenyl)ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole?
The InChIKey is WEHWMGGFDWRBAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2S/c1-18-12-7-4-11(5-8-12)6-9-14-16-15(17-19-14)13-3-2-10-20-13/h2-5,7-8,10H,6,9H2,1H3.
What are the key properties of 5-[2-(4-methoxyphenyl)ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole?
5-[2-(4-methoxyphenyl)ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole has a molecular weight of 286.36 g/mol, XLogP of 3.59, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-methoxyphenyl)ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 6458425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).