5-[(2,4-dichlorophenoxy)methyl]-3-(thiophen-2-ylsulfanylmethyl)-1,2,4-oxadiazole

C14H10Cl2N2O2S2 — CID 2742932

IUPAC5-[(2,4-dichlorophenoxy)methyl]-3-(thiophen-2-ylsulfanylmethyl)-1,2,4-oxadiazole
SMILESClc1ccc(OCc2nc(CSc3cccs3)no2)c(Cl)c1
InChIInChI=1S/C14H10Cl2N2O2S2/c15-9-3-4-11(10(16)6-9)19-7-13-17-12(18-20-13)8-22-14-2-1-5-21-14/h1-6H,7-8H2
InChIKeyCIJSRCQLIAPYIV-UHFFFAOYSA-N
MW373.29 g/mol
LogP5.31
Rot. Bonds6

About 5-[(2,4-dichlorophenoxy)methyl]-3-(thiophen-2-ylsulfanylmethyl)-1,2,4-oxadiazole

5-[(2,4-dichlorophenoxy)methyl]-3-(thiophen-2-ylsulfanylmethyl)-1,2,4-oxadiazole (PubChem CID 2742932) has the molecular formula C14H10Cl2N2O2S2 and a molecular weight of 373.29 g/mol. Its IUPAC name is 5-[(2,4-dichlorophenoxy)methyl]-3-(thiophen-2-ylsulfanylmethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(2,4-dichlorophenoxy)methyl]-3-(thiophen-2-ylsulfanylmethyl)-1,2,4-oxadiazole
PubChem CID2742932
Molecular FormulaC14H10Cl2N2O2S2
Molecular Weight373.29 g/mol
Exact Mass371.96
IUPAC Name5-[(2,4-dichlorophenoxy)methyl]-3-(thiophen-2-ylsulfanylmethyl)-1,2,4-oxadiazole
SMILESClc1ccc(OCc2nc(CSc3cccs3)no2)c(Cl)c1
InChIInChI=1S/C14H10Cl2N2O2S2/c15-9-3-4-11(10(16)6-9)19-7-13-17-12(18-20-13)8-22-14-2-1-5-21-14/h1-6H,7-8H2
InChIKeyCIJSRCQLIAPYIV-UHFFFAOYSA-N
XLogP5.31
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.29
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(2,4-dichlorophenoxy)methyl]-3-(thiophen-2-ylsulfanylmethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[(2,4-dichlorophenoxy)methyl]-3-(thiophen-2-ylsulfanylmethyl)-1,2,4-oxadiazole (CID 2742932) is 5-[(2,4-dichlorophenoxy)methyl]-3-(thiophen-2-ylsulfanylmethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(2,4-dichlorophenoxy)methyl]-3-(thiophen-2-ylsulfanylmethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[(2,4-dichlorophenoxy)methyl]-3-(thiophen-2-ylsulfanylmethyl)-1,2,4-oxadiazole is Clc1ccc(OCc2nc(CSc3cccs3)no2)c(Cl)c1.
What is the InChIKey of 5-[(2,4-dichlorophenoxy)methyl]-3-(thiophen-2-ylsulfanylmethyl)-1,2,4-oxadiazole?
The InChIKey is CIJSRCQLIAPYIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2N2O2S2/c15-9-3-4-11(10(16)6-9)19-7-13-17-12(18-20-13)8-22-14-2-1-5-21-14/h1-6H,7-8H2.
What are the key properties of 5-[(2,4-dichlorophenoxy)methyl]-3-(thiophen-2-ylsulfanylmethyl)-1,2,4-oxadiazole?
5-[(2,4-dichlorophenoxy)methyl]-3-(thiophen-2-ylsulfanylmethyl)-1,2,4-oxadiazole has a molecular weight of 373.29 g/mol, XLogP of 5.31, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,4-dichlorophenoxy)methyl]-3-(thiophen-2-ylsulfanylmethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 2742932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).