5-(3,4-dimethoxyphenyl)-3-(thiophen-3-ylsulfonylmethyl)-1,2,4-oxadiazole

C15H14N2O5S2 — CID 2742615

IUPAC5-(3,4-dimethoxyphenyl)-3-(thiophen-3-ylsulfonylmethyl)-1,2,4-oxadiazole
SMILESCOc1ccc(-c2nc(CS(=O)(=O)c3ccsc3)no2)cc1OC
InChIInChI=1S/C15H14N2O5S2/c1-20-12-4-3-10(7-13(12)21-2)15-16-14(17-22-15)9-24(18,19)11-5-6-23-8-11/h3-8H,9H2,1-2H3
InChIKeyHJTHWYXTXLOPFU-UHFFFAOYSA-N
MW366.42 g/mol
LogP2.79
Rot. Bonds6

About 5-(3,4-dimethoxyphenyl)-3-(thiophen-3-ylsulfonylmethyl)-1,2,4-oxadiazole

5-(3,4-dimethoxyphenyl)-3-(thiophen-3-ylsulfonylmethyl)-1,2,4-oxadiazole (PubChem CID 2742615) has the molecular formula C15H14N2O5S2 and a molecular weight of 366.42 g/mol. Its IUPAC name is 5-(3,4-dimethoxyphenyl)-3-(thiophen-3-ylsulfonylmethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(3,4-dimethoxyphenyl)-3-(thiophen-3-ylsulfonylmethyl)-1,2,4-oxadiazole
PubChem CID2742615
Molecular FormulaC15H14N2O5S2
Molecular Weight366.42 g/mol
Exact Mass366.03
IUPAC Name5-(3,4-dimethoxyphenyl)-3-(thiophen-3-ylsulfonylmethyl)-1,2,4-oxadiazole
SMILESCOc1ccc(-c2nc(CS(=O)(=O)c3ccsc3)no2)cc1OC
InChIInChI=1S/C15H14N2O5S2/c1-20-12-4-3-10(7-13(12)21-2)15-16-14(17-22-15)9-24(18,19)11-5-6-23-8-11/h3-8H,9H2,1-2H3
InChIKeyHJTHWYXTXLOPFU-UHFFFAOYSA-N
XLogP2.79
TPSA91.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethoxyphenyl)-3-(thiophen-3-ylsulfonylmethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(3,4-dimethoxyphenyl)-3-(thiophen-3-ylsulfonylmethyl)-1,2,4-oxadiazole (CID 2742615) is 5-(3,4-dimethoxyphenyl)-3-(thiophen-3-ylsulfonylmethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(3,4-dimethoxyphenyl)-3-(thiophen-3-ylsulfonylmethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(3,4-dimethoxyphenyl)-3-(thiophen-3-ylsulfonylmethyl)-1,2,4-oxadiazole is COc1ccc(-c2nc(CS(=O)(=O)c3ccsc3)no2)cc1OC.
What is the InChIKey of 5-(3,4-dimethoxyphenyl)-3-(thiophen-3-ylsulfonylmethyl)-1,2,4-oxadiazole?
The InChIKey is HJTHWYXTXLOPFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O5S2/c1-20-12-4-3-10(7-13(12)21-2)15-16-14(17-22-15)9-24(18,19)11-5-6-23-8-11/h3-8H,9H2,1-2H3.
What are the key properties of 5-(3,4-dimethoxyphenyl)-3-(thiophen-3-ylsulfonylmethyl)-1,2,4-oxadiazole?
5-(3,4-dimethoxyphenyl)-3-(thiophen-3-ylsulfonylmethyl)-1,2,4-oxadiazole has a molecular weight of 366.42 g/mol, XLogP of 2.79, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethoxyphenyl)-3-(thiophen-3-ylsulfonylmethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 2742615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).