3-[(2,6-dichloro-4-fluorophenoxy)methyl]-5-thiophen-3-yl-1,2,4-oxadiazole

C13H7Cl2FN2O2S — CID 2739748

IUPAC3-[(2,6-dichloro-4-fluorophenoxy)methyl]-5-thiophen-3-yl-1,2,4-oxadiazole
SMILESFc1cc(Cl)c(OCc2noc(-c3ccsc3)n2)c(Cl)c1
InChIInChI=1S/C13H7Cl2FN2O2S/c14-9-3-8(16)4-10(15)12(9)19-5-11-17-13(20-18-11)7-1-2-21-6-7/h1-4,6H,5H2
InChIKeyHXYDCYJEJGKGGI-UHFFFAOYSA-N
MW345.18 g/mol
LogP4.82
Rot. Bonds4

About 3-[(2,6-dichloro-4-fluorophenoxy)methyl]-5-thiophen-3-yl-1,2,4-oxadiazole

3-[(2,6-dichloro-4-fluorophenoxy)methyl]-5-thiophen-3-yl-1,2,4-oxadiazole (PubChem CID 2739748) has the molecular formula C13H7Cl2FN2O2S and a molecular weight of 345.18 g/mol. Its IUPAC name is 3-[(2,6-dichloro-4-fluorophenoxy)methyl]-5-thiophen-3-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[(2,6-dichloro-4-fluorophenoxy)methyl]-5-thiophen-3-yl-1,2,4-oxadiazole
PubChem CID2739748
Molecular FormulaC13H7Cl2FN2O2S
Molecular Weight345.18 g/mol
Exact Mass343.96
IUPAC Name3-[(2,6-dichloro-4-fluorophenoxy)methyl]-5-thiophen-3-yl-1,2,4-oxadiazole
SMILESFc1cc(Cl)c(OCc2noc(-c3ccsc3)n2)c(Cl)c1
InChIInChI=1S/C13H7Cl2FN2O2S/c14-9-3-8(16)4-10(15)12(9)19-5-11-17-13(20-18-11)7-1-2-21-6-7/h1-4,6H,5H2
InChIKeyHXYDCYJEJGKGGI-UHFFFAOYSA-N
XLogP4.82
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.18
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2,4-Dichlorophenoxy)methyl]-5-(3-thienyl)-1,2,4-oxadiazole
CID 2739641
5-(3-Thienyl)-3-{[3-(trifluoromethyl)phenoxy]methyl}-1,2,4-oxadiazole
CID 2739642
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
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-Bromo-4-fluorophenoxy)methyl]-5-thiophen-3-yl-1,2,4-oxadiazole
CID 45780649
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
3-[(4-Bromo-2-fluorophenoxy)methyl]-5-thiophen-3-yl-1,2,4-oxadiazole
CID 47154114

Frequently Asked Questions

What is the IUPAC name of 3-[(2,6-dichloro-4-fluorophenoxy)methyl]-5-thiophen-3-yl-1,2,4-oxadiazole?
The IUPAC name of 3-[(2,6-dichloro-4-fluorophenoxy)methyl]-5-thiophen-3-yl-1,2,4-oxadiazole (CID 2739748) is 3-[(2,6-dichloro-4-fluorophenoxy)methyl]-5-thiophen-3-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[(2,6-dichloro-4-fluorophenoxy)methyl]-5-thiophen-3-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-[(2,6-dichloro-4-fluorophenoxy)methyl]-5-thiophen-3-yl-1,2,4-oxadiazole is Fc1cc(Cl)c(OCc2noc(-c3ccsc3)n2)c(Cl)c1.
What is the InChIKey of 3-[(2,6-dichloro-4-fluorophenoxy)methyl]-5-thiophen-3-yl-1,2,4-oxadiazole?
The InChIKey is HXYDCYJEJGKGGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl2FN2O2S/c14-9-3-8(16)4-10(15)12(9)19-5-11-17-13(20-18-11)7-1-2-21-6-7/h1-4,6H,5H2.
What are the key properties of 3-[(2,6-dichloro-4-fluorophenoxy)methyl]-5-thiophen-3-yl-1,2,4-oxadiazole?
3-[(2,6-dichloro-4-fluorophenoxy)methyl]-5-thiophen-3-yl-1,2,4-oxadiazole has a molecular weight of 345.18 g/mol, XLogP of 4.82, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,6-dichloro-4-fluorophenoxy)methyl]-5-thiophen-3-yl-1,2,4-oxadiazole is sourced from PubChem (CID 2739748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).