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

C13H8Cl2N2O2S — CID 2739641

IUPAC3-[(2,4-dichlorophenoxy)methyl]-5-thiophen-3-yl-1,2,4-oxadiazole
SMILESClc1ccc(OCc2noc(-c3ccsc3)n2)c(Cl)c1
InChIInChI=1S/C13H8Cl2N2O2S/c14-9-1-2-11(10(15)5-9)18-6-12-16-13(19-17-12)8-3-4-20-7-8/h1-5,7H,6H2
InChIKeyHPESDYMHRNVLMT-UHFFFAOYSA-N
MW327.19 g/mol
LogP4.68
Rot. Bonds4

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

3-[(2,4-dichlorophenoxy)methyl]-5-thiophen-3-yl-1,2,4-oxadiazole (PubChem CID 2739641) has the molecular formula C13H8Cl2N2O2S and a molecular weight of 327.19 g/mol. Its IUPAC name is 3-[(2,4-dichlorophenoxy)methyl]-5-thiophen-3-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[(2,4-dichlorophenoxy)methyl]-5-thiophen-3-yl-1,2,4-oxadiazole
PubChem CID2739641
Molecular FormulaC13H8Cl2N2O2S
Molecular Weight327.19 g/mol
Exact Mass325.97
IUPAC Name3-[(2,4-dichlorophenoxy)methyl]-5-thiophen-3-yl-1,2,4-oxadiazole
SMILESClc1ccc(OCc2noc(-c3ccsc3)n2)c(Cl)c1
InChIInChI=1S/C13H8Cl2N2O2S/c14-9-1-2-11(10(15)5-9)18-6-12-16-13(19-17-12)8-3-4-20-7-8/h1-5,7H,6H2
InChIKeyHPESDYMHRNVLMT-UHFFFAOYSA-N
XLogP4.68
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.19
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(5-Thiophen-3-yl-1,2,4-oxadiazol-3-yl)methoxy]benzonitrile
CID 2739643
5-(3-Thienyl)-3-{[3-(trifluoromethyl)phenoxy]methyl}-1,2,4-oxadiazole
CID 2739642
3-[(2,6-Dichloro-4-fluorophenoxy)methyl]-5-(3-thienyl)-1,2,4-oxadiazole
CID 2739748
3-[(4-Chlorophenoxy)methyl]-5-thiophen-3-yl-1,2,4-oxadiazole
CID 2739741
2-(2,4-dichlorophenoxy)-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]acetamide
CID 86264852
2-(4-chlorophenoxy)-N-[5-(thiophen-2-yl)-1,2,4-oxadiazol-3-yl]acetamide
CID 20897233
5-[(2-Chloro-4-fluorophenoxy)methyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 9138008
5-[(2-Chloro-4-fluorophenoxy)methyl]-3-thiophen-3-yl-1,2,4-oxadiazole
CID 9138027
3-[(2-Chloro-4-fluorophenoxy)methyl]-5-thiophen-2-yl-1,2,4-oxadiazole
CID 45859348
3-[(2-Chloro-4-fluorophenoxy)methyl]-5-thiophen-3-yl-1,2,4-oxadiazole
CID 47022277
3-[(2,4-Difluorophenoxy)methyl]-5-thiophen-2-yl-1,2,4-oxadiazole
CID 47023806
3-[(2,4-Difluorophenoxy)methyl]-5-thiophen-3-yl-1,2,4-oxadiazole
CID 47023807

Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-dichlorophenoxy)methyl]-5-thiophen-3-yl-1,2,4-oxadiazole?
The IUPAC name of 3-[(2,4-dichlorophenoxy)methyl]-5-thiophen-3-yl-1,2,4-oxadiazole (CID 2739641) is 3-[(2,4-dichlorophenoxy)methyl]-5-thiophen-3-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[(2,4-dichlorophenoxy)methyl]-5-thiophen-3-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-[(2,4-dichlorophenoxy)methyl]-5-thiophen-3-yl-1,2,4-oxadiazole is Clc1ccc(OCc2noc(-c3ccsc3)n2)c(Cl)c1.
What is the InChIKey of 3-[(2,4-dichlorophenoxy)methyl]-5-thiophen-3-yl-1,2,4-oxadiazole?
The InChIKey is HPESDYMHRNVLMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2N2O2S/c14-9-1-2-11(10(15)5-9)18-6-12-16-13(19-17-12)8-3-4-20-7-8/h1-5,7H,6H2.
What are the key properties of 3-[(2,4-dichlorophenoxy)methyl]-5-thiophen-3-yl-1,2,4-oxadiazole?
3-[(2,4-dichlorophenoxy)methyl]-5-thiophen-3-yl-1,2,4-oxadiazole has a molecular weight of 327.19 g/mol, XLogP of 4.68, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4-dichlorophenoxy)methyl]-5-thiophen-3-yl-1,2,4-oxadiazole is sourced from PubChem (CID 2739641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).