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

C13H8ClFN2O2S — CID 9138027

IUPAC5-[(2-chloro-4-fluorophenoxy)methyl]-3-thiophen-3-yl-1,2,4-oxadiazole
SMILESFc1ccc(OCc2nc(-c3ccsc3)no2)c(Cl)c1
InChIInChI=1S/C13H8ClFN2O2S/c14-10-5-9(15)1-2-11(10)18-6-12-16-13(17-19-12)8-3-4-20-7-8/h1-5,7H,6H2
InChIKeyUJSYADQTDDRMGK-UHFFFAOYSA-N
MW310.74 g/mol
LogP4.17
Rot. Bonds4

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

5-[(2-chloro-4-fluorophenoxy)methyl]-3-thiophen-3-yl-1,2,4-oxadiazole (PubChem CID 9138027) has the molecular formula C13H8ClFN2O2S and a molecular weight of 310.74 g/mol. Its IUPAC name is 5-[(2-chloro-4-fluorophenoxy)methyl]-3-thiophen-3-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(2-chloro-4-fluorophenoxy)methyl]-3-thiophen-3-yl-1,2,4-oxadiazole
PubChem CID9138027
Molecular FormulaC13H8ClFN2O2S
Molecular Weight310.74 g/mol
Exact Mass310.00
IUPAC Name5-[(2-chloro-4-fluorophenoxy)methyl]-3-thiophen-3-yl-1,2,4-oxadiazole
SMILESFc1ccc(OCc2nc(-c3ccsc3)no2)c(Cl)c1
InChIInChI=1S/C13H8ClFN2O2S/c14-10-5-9(15)1-2-11(10)18-6-12-16-13(17-19-12)8-3-4-20-7-8/h1-5,7H,6H2
InChIKeyUJSYADQTDDRMGK-UHFFFAOYSA-N
XLogP4.17
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.74
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(Phenoxymethyl)-3-thiophen-2-yl-1,2,4-oxadiazole
CID 718731
5-[(4-Chloro-3,5-dimethylphenoxy)methyl]-3-(thiophen-2-yl)-1,2,4-oxadiazole
CID 719007
5-[(4-Fluorophenoxy)methyl]-3-(2-thienyl)-1,2,4-oxadiazole
CID 1504302
3-[(2,4-Dichlorophenoxy)methyl]-5-(3-thienyl)-1,2,4-oxadiazole
CID 2739641
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
5-[(2,4-Dichlorophenoxy)methyl]-3-(thiophen-2-ylsulfanylmethyl)-1,2,4-oxadiazole
CID 2742932
5-[(2,3,5,6-Tetrafluorophenoxy)methyl]-3-(thiophen-2-yl)-1,2,4-oxadiazole
CID 718711
5-[(2,4-Difluorophenoxy)methyl]-3-(thiophen-2-yl)-1,2,4-oxadiazole
CID 1502237
2-(2-chlorophenoxy)-1-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
CID 166109270
2-(2-chloro-4-fluorophenoxy)-1-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
CID 166109367
2-(2-chloro-6-fluorophenoxy)-1-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
CID 166109494

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chloro-4-fluorophenoxy)methyl]-3-thiophen-3-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[(2-chloro-4-fluorophenoxy)methyl]-3-thiophen-3-yl-1,2,4-oxadiazole (CID 9138027) is 5-[(2-chloro-4-fluorophenoxy)methyl]-3-thiophen-3-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(2-chloro-4-fluorophenoxy)methyl]-3-thiophen-3-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[(2-chloro-4-fluorophenoxy)methyl]-3-thiophen-3-yl-1,2,4-oxadiazole is Fc1ccc(OCc2nc(-c3ccsc3)no2)c(Cl)c1.
What is the InChIKey of 5-[(2-chloro-4-fluorophenoxy)methyl]-3-thiophen-3-yl-1,2,4-oxadiazole?
The InChIKey is UJSYADQTDDRMGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClFN2O2S/c14-10-5-9(15)1-2-11(10)18-6-12-16-13(17-19-12)8-3-4-20-7-8/h1-5,7H,6H2.
What are the key properties of 5-[(2-chloro-4-fluorophenoxy)methyl]-3-thiophen-3-yl-1,2,4-oxadiazole?
5-[(2-chloro-4-fluorophenoxy)methyl]-3-thiophen-3-yl-1,2,4-oxadiazole has a molecular weight of 310.74 g/mol, XLogP of 4.17, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chloro-4-fluorophenoxy)methyl]-3-thiophen-3-yl-1,2,4-oxadiazole is sourced from PubChem (CID 9138027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).