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

C19H11F3N2OS — CID 2740144

IUPAC3-phenyl-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole
SMILESFC(F)(F)c1sc(-c2nc(-c3ccccc3)no2)cc1-c1ccccc1
InChIInChI=1S/C19H11F3N2OS/c20-19(21,22)16-14(12-7-3-1-4-8-12)11-15(26-16)18-23-17(24-25-18)13-9-5-2-6-10-13/h1-11H
InChIKeyPJHDZYVIURRTBF-UHFFFAOYSA-N
MW372.37 g/mol
LogP6.15
Rot. Bonds3

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

3-phenyl-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole (PubChem CID 2740144) has the molecular formula C19H11F3N2OS and a molecular weight of 372.37 g/mol. Its IUPAC name is 3-phenyl-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-phenyl-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole
PubChem CID2740144
Molecular FormulaC19H11F3N2OS
Molecular Weight372.37 g/mol
Exact Mass372.05
IUPAC Name3-phenyl-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole
SMILESFC(F)(F)c1sc(-c2nc(-c3ccccc3)no2)cc1-c1ccccc1
InChIInChI=1S/C19H11F3N2OS/c20-19(21,22)16-14(12-7-3-1-4-8-12)11-15(26-16)18-23-17(24-25-18)13-9-5-2-6-10-13/h1-11H
InChIKeyPJHDZYVIURRTBF-UHFFFAOYSA-N
XLogP6.15
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.37
LogP ≤ 56.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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1-(4-(5-(4-Phenyl-5-(trifluoromethyl)thiophen-2-yl)-1,2,4-oxadiazol-3-yl)benzyl)azetidine-3-carboxylic acid
CID 10174255
5-(4-Fluorophenyl)-3-(2-thienyl)-1,2,4-oxadiazole
CID 718718
4-(5-Phenyl-1,2,4-oxadiazol-3-yl)thiophene-2-sulfonamide
CID 155540596
3-(4-Methylphenyl)-5-(thiophen-2-yl)-1,2,4-oxadiazole
CID 784811
3-(2-Methylphenyl)-5-(thiophen-2-yl)-1,2,4-oxadiazole
CID 878991
5-(4-Propylphenyl)-3-thiophen-2-yl-1,2,4-oxadiazole
CID 2742670
5-(3-Chloro-thiophen-2-yl)-3-(4-trifluoromethyl-phenyl)-[1,2,4]oxadiazole
CID 3783248
5-(3-Chloro-thiophen-2-yl)-3-(3-trifluoromethyl-phenyl)-[1,2,4]oxadiazole
CID 9923594
7-Phenyl-1-(5-(thiophen-2-yl)-1,2,4-oxadiazol-3-yl)-heptan-1-one
CID 24951158
2,2,2-Trifluoro-1-(5-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl)ethanone
CID 25168576

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-phenyl-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole (CID 2740144) is 3-phenyl-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-phenyl-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-phenyl-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole is FC(F)(F)c1sc(-c2nc(-c3ccccc3)no2)cc1-c1ccccc1.
What is the InChIKey of 3-phenyl-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole?
The InChIKey is PJHDZYVIURRTBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11F3N2OS/c20-19(21,22)16-14(12-7-3-1-4-8-12)11-15(26-16)18-23-17(24-25-18)13-9-5-2-6-10-13/h1-11H.
What are the key properties of 3-phenyl-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole?
3-phenyl-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole has a molecular weight of 372.37 g/mol, XLogP of 6.15, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 2740144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).