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

C15H14N2O4S — CID 666832

IUPAC5-thiophen-2-yl-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole
SMILESCOc1cc(-c2noc(-c3cccs3)n2)cc(OC)c1OC
InChIInChI=1S/C15H14N2O4S/c1-18-10-7-9(8-11(19-2)13(10)20-3)14-16-15(21-17-14)12-5-4-6-22-12/h4-8H,1-3H3
InChIKeyFBZAJSFJQICZTP-UHFFFAOYSA-N
MW318.35 g/mol
LogP3.49
Rot. Bonds5

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

5-thiophen-2-yl-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole (PubChem CID 666832) has the molecular formula C15H14N2O4S and a molecular weight of 318.35 g/mol. Its IUPAC name is 5-thiophen-2-yl-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-thiophen-2-yl-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole
PubChem CID666832
Molecular FormulaC15H14N2O4S
Molecular Weight318.35 g/mol
Exact Mass318.07
IUPAC Name5-thiophen-2-yl-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole
SMILESCOc1cc(-c2noc(-c3cccs3)n2)cc(OC)c1OC
InChIInChI=1S/C15H14N2O4S/c1-18-10-7-9(8-11(19-2)13(10)20-3)14-16-15(21-17-14)12-5-4-6-22-12/h4-8H,1-3H3
InChIKeyFBZAJSFJQICZTP-UHFFFAOYSA-N
XLogP3.49
TPSA66.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-thiophen-2-yl-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-thiophen-2-yl-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole (CID 666832) is 5-thiophen-2-yl-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-thiophen-2-yl-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-thiophen-2-yl-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole is COc1cc(-c2noc(-c3cccs3)n2)cc(OC)c1OC.
What is the InChIKey of 5-thiophen-2-yl-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole?
The InChIKey is FBZAJSFJQICZTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4S/c1-18-10-7-9(8-11(19-2)13(10)20-3)14-16-15(21-17-14)12-5-4-6-22-12/h4-8H,1-3H3.
What are the key properties of 5-thiophen-2-yl-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole?
5-thiophen-2-yl-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole has a molecular weight of 318.35 g/mol, XLogP of 3.49, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-thiophen-2-yl-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 666832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).