5-thiophen-2-yl-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole

C13H7F3N2OS — CID 4041181

IUPAC5-thiophen-2-yl-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
SMILESFC(F)(F)c1ccc(-c2noc(-c3cccs3)n2)cc1
InChIInChI=1S/C13H7F3N2OS/c14-13(15,16)9-5-3-8(4-6-9)11-17-12(19-18-11)10-2-1-7-20-10/h1-7H
InChIKeyMZHXXNJVYCUZNC-UHFFFAOYSA-N
MW296.27 g/mol
LogP4.48
Rot. Bonds2

About 5-thiophen-2-yl-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole

5-thiophen-2-yl-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole (PubChem CID 4041181) has the molecular formula C13H7F3N2OS and a molecular weight of 296.27 g/mol. Its IUPAC name is 5-thiophen-2-yl-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-thiophen-2-yl-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
PubChem CID4041181
Molecular FormulaC13H7F3N2OS
Molecular Weight296.27 g/mol
Exact Mass296.02
IUPAC Name5-thiophen-2-yl-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
SMILESFC(F)(F)c1ccc(-c2noc(-c3cccs3)n2)cc1
InChIInChI=1S/C13H7F3N2OS/c14-13(15,16)9-5-3-8(4-6-9)11-17-12(19-18-11)10-2-1-7-20-10/h1-7H
InChIKeyMZHXXNJVYCUZNC-UHFFFAOYSA-N
XLogP4.48
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.27
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-thiophen-2-yl-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?
The IUPAC name of 5-thiophen-2-yl-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole (CID 4041181) is 5-thiophen-2-yl-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-thiophen-2-yl-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-thiophen-2-yl-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole is FC(F)(F)c1ccc(-c2noc(-c3cccs3)n2)cc1.
What is the InChIKey of 5-thiophen-2-yl-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?
The InChIKey is MZHXXNJVYCUZNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F3N2OS/c14-13(15,16)9-5-3-8(4-6-9)11-17-12(19-18-11)10-2-1-7-20-10/h1-7H.
What are the key properties of 5-thiophen-2-yl-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?
5-thiophen-2-yl-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole has a molecular weight of 296.27 g/mol, XLogP of 4.48, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-thiophen-2-yl-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 4041181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).