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

C15H14N2O2S — CID 46157988

IUPAC3-(4-propoxyphenyl)-5-thiophen-2-yl-1,2,4-oxadiazole
SMILESCCCOc1ccc(-c2noc(-c3cccs3)n2)cc1
InChIInChI=1S/C15H14N2O2S/c1-2-9-18-12-7-5-11(6-8-12)14-16-15(19-17-14)13-4-3-10-20-13/h3-8,10H,2,9H2,1H3
InChIKeyPKLSEJTWKWVUNM-UHFFFAOYSA-N
MW286.36 g/mol
LogP4.25
Rot. Bonds5

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

3-(4-propoxyphenyl)-5-thiophen-2-yl-1,2,4-oxadiazole (PubChem CID 46157988) has the molecular formula C15H14N2O2S and a molecular weight of 286.36 g/mol. Its IUPAC name is 3-(4-propoxyphenyl)-5-thiophen-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(4-propoxyphenyl)-5-thiophen-2-yl-1,2,4-oxadiazole
PubChem CID46157988
Molecular FormulaC15H14N2O2S
Molecular Weight286.36 g/mol
Exact Mass286.08
IUPAC Name3-(4-propoxyphenyl)-5-thiophen-2-yl-1,2,4-oxadiazole
SMILESCCCOc1ccc(-c2noc(-c3cccs3)n2)cc1
InChIInChI=1S/C15H14N2O2S/c1-2-9-18-12-7-5-11(6-8-12)14-16-15(19-17-14)13-4-3-10-20-13/h3-8,10H,2,9H2,1H3
InChIKeyPKLSEJTWKWVUNM-UHFFFAOYSA-N
XLogP4.25
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 ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-propoxyphenyl)-5-thiophen-2-yl-1,2,4-oxadiazole?
The IUPAC name of 3-(4-propoxyphenyl)-5-thiophen-2-yl-1,2,4-oxadiazole (CID 46157988) is 3-(4-propoxyphenyl)-5-thiophen-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-(4-propoxyphenyl)-5-thiophen-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-(4-propoxyphenyl)-5-thiophen-2-yl-1,2,4-oxadiazole is CCCOc1ccc(-c2noc(-c3cccs3)n2)cc1.
What is the InChIKey of 3-(4-propoxyphenyl)-5-thiophen-2-yl-1,2,4-oxadiazole?
The InChIKey is PKLSEJTWKWVUNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2S/c1-2-9-18-12-7-5-11(6-8-12)14-16-15(19-17-14)13-4-3-10-20-13/h3-8,10H,2,9H2,1H3.
What are the key properties of 3-(4-propoxyphenyl)-5-thiophen-2-yl-1,2,4-oxadiazole?
3-(4-propoxyphenyl)-5-thiophen-2-yl-1,2,4-oxadiazole has a molecular weight of 286.36 g/mol, XLogP of 4.25, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-propoxyphenyl)-5-thiophen-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 46157988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).