3-[[3-(trifluoromethyl)phenyl]sulfanylmethyl]-1,2,4-oxadiazole

C10H7F3N2OS — CID 54161772

IUPAC3-[[3-(trifluoromethyl)phenyl]sulfanylmethyl]-1,2,4-oxadiazole
SMILESFC(F)(F)c1cccc(SCc2ncon2)c1
InChIInChI=1S/C10H7F3N2OS/c11-10(12,13)7-2-1-3-8(4-7)17-5-9-14-6-16-15-9/h1-4,6H,5H2
InChIKeyOOXNJTHCPKHHEK-UHFFFAOYSA-N
MW260.24 g/mol
LogP3.38
Rot. Bonds3

About 3-[[3-(trifluoromethyl)phenyl]sulfanylmethyl]-1,2,4-oxadiazole

3-[[3-(trifluoromethyl)phenyl]sulfanylmethyl]-1,2,4-oxadiazole (PubChem CID 54161772) has the molecular formula C10H7F3N2OS and a molecular weight of 260.24 g/mol. Its IUPAC name is 3-[[3-(trifluoromethyl)phenyl]sulfanylmethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[[3-(trifluoromethyl)phenyl]sulfanylmethyl]-1,2,4-oxadiazole
PubChem CID54161772
Molecular FormulaC10H7F3N2OS
Molecular Weight260.24 g/mol
Exact Mass260.02
IUPAC Name3-[[3-(trifluoromethyl)phenyl]sulfanylmethyl]-1,2,4-oxadiazole
SMILESFC(F)(F)c1cccc(SCc2ncon2)c1
InChIInChI=1S/C10H7F3N2OS/c11-10(12,13)7-2-1-3-8(4-7)17-5-9-14-6-16-15-9/h1-4,6H,5H2
InChIKeyOOXNJTHCPKHHEK-UHFFFAOYSA-N
XLogP3.38
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.24
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[3-(trifluoromethyl)phenyl]sulfanylmethyl]-1,2,4-oxadiazole?
The IUPAC name of 3-[[3-(trifluoromethyl)phenyl]sulfanylmethyl]-1,2,4-oxadiazole (CID 54161772) is 3-[[3-(trifluoromethyl)phenyl]sulfanylmethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-[[3-(trifluoromethyl)phenyl]sulfanylmethyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-[[3-(trifluoromethyl)phenyl]sulfanylmethyl]-1,2,4-oxadiazole is FC(F)(F)c1cccc(SCc2ncon2)c1.
What is the InChIKey of 3-[[3-(trifluoromethyl)phenyl]sulfanylmethyl]-1,2,4-oxadiazole?
The InChIKey is OOXNJTHCPKHHEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3N2OS/c11-10(12,13)7-2-1-3-8(4-7)17-5-9-14-6-16-15-9/h1-4,6H,5H2.
What are the key properties of 3-[[3-(trifluoromethyl)phenyl]sulfanylmethyl]-1,2,4-oxadiazole?
3-[[3-(trifluoromethyl)phenyl]sulfanylmethyl]-1,2,4-oxadiazole has a molecular weight of 260.24 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(trifluoromethyl)phenyl]sulfanylmethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 54161772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).