2-[(2-chlorophenyl)methylsulfanyl]-5-(trifluoromethyl)-1,3,4-oxadiazole

C10H6ClF3N2OS — CID 21215195

IUPAC2-[(2-chlorophenyl)methylsulfanyl]-5-(trifluoromethyl)-1,3,4-oxadiazole
SMILESFC(F)(F)c1nnc(SCc2ccccc2Cl)o1
InChIInChI=1S/C10H6ClF3N2OS/c11-7-4-2-1-3-6(7)5-18-9-16-15-8(17-9)10(12,13)14/h1-4H,5H2
InChIKeyIMTOYOUJAICQAB-UHFFFAOYSA-N
MW294.69 g/mol
LogP4.03
Rot. Bonds3

About 2-[(2-chlorophenyl)methylsulfanyl]-5-(trifluoromethyl)-1,3,4-oxadiazole

2-[(2-chlorophenyl)methylsulfanyl]-5-(trifluoromethyl)-1,3,4-oxadiazole (PubChem CID 21215195) has the molecular formula C10H6ClF3N2OS and a molecular weight of 294.69 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methylsulfanyl]-5-(trifluoromethyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methylsulfanyl]-5-(trifluoromethyl)-1,3,4-oxadiazole
PubChem CID21215195
Molecular FormulaC10H6ClF3N2OS
Molecular Weight294.69 g/mol
Exact Mass293.98
IUPAC Name2-[(2-chlorophenyl)methylsulfanyl]-5-(trifluoromethyl)-1,3,4-oxadiazole
SMILESFC(F)(F)c1nnc(SCc2ccccc2Cl)o1
InChIInChI=1S/C10H6ClF3N2OS/c11-7-4-2-1-3-6(7)5-18-9-16-15-8(17-9)10(12,13)14/h1-4H,5H2
InChIKeyIMTOYOUJAICQAB-UHFFFAOYSA-N
XLogP4.03
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.69
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-((2-Chloro-6-fluorobenzyl)thio)-1,3,4-oxadiazol-2-yl)ethanamine hydrochloride
CID 6603367
2-[[4-Chloro-3-(trifluoromethyl)phenyl]sulfanylmethyl]-5-methyl-1,3,4-oxadiazole
CID 8903014
2-[(2,4-Dichlorobenzyl)sulfanyl]-5-methyl-1,3,4-oxadiazole
CID 1080103
2-{5-[(2-Chloro-6-fluorobenzyl)sulfanyl]-1,3,4-oxadiazol-2-yl}ethanamine
CID 663223
2-{5-[(2-Chlorobenzyl)sulfanyl]-1,3,4-oxadiazol-2-yl}ethanamine
CID 933178
2-[(2-Fluorophenyl)methylsulfanyl]-5-(trifluoromethyl)-1,3,4-oxadiazole
CID 4191710
2-[(4-Chlorophenyl)methylsulfanyl]-5-(trifluoromethyl)-1,3,4-oxadiazole
CID 21215133
2-[(4-Methylphenyl)methylsulfanyl]-5-(trifluoromethyl)-1,3,4-oxadiazole
CID 21215196
2-[(4-Fluorophenyl)methylsulfanyl]-5-(trifluoromethyl)-1,3,4-oxadiazole
CID 21215197
2-(((2-Chlorophenyl)methyl)thio)-5-propyl-1,3,4-oxadiazole
CID 189983
2-{[(2-Chlorophenyl)methyl]sulfanyl}-5-(trifluoromethyl)-1,3,4-thiadiazole
CID 20322874
2-[5-[(2-Chloro-6-fluorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]ethylazanium
CID 4977059

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methylsulfanyl]-5-(trifluoromethyl)-1,3,4-oxadiazole?
The IUPAC name of 2-[(2-chlorophenyl)methylsulfanyl]-5-(trifluoromethyl)-1,3,4-oxadiazole (CID 21215195) is 2-[(2-chlorophenyl)methylsulfanyl]-5-(trifluoromethyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(2-chlorophenyl)methylsulfanyl]-5-(trifluoromethyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[(2-chlorophenyl)methylsulfanyl]-5-(trifluoromethyl)-1,3,4-oxadiazole is FC(F)(F)c1nnc(SCc2ccccc2Cl)o1.
What is the InChIKey of 2-[(2-chlorophenyl)methylsulfanyl]-5-(trifluoromethyl)-1,3,4-oxadiazole?
The InChIKey is IMTOYOUJAICQAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClF3N2OS/c11-7-4-2-1-3-6(7)5-18-9-16-15-8(17-9)10(12,13)14/h1-4H,5H2.
What are the key properties of 2-[(2-chlorophenyl)methylsulfanyl]-5-(trifluoromethyl)-1,3,4-oxadiazole?
2-[(2-chlorophenyl)methylsulfanyl]-5-(trifluoromethyl)-1,3,4-oxadiazole has a molecular weight of 294.69 g/mol, XLogP of 4.03, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methylsulfanyl]-5-(trifluoromethyl)-1,3,4-oxadiazole is sourced from PubChem (CID 21215195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).