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

C20H12F3N3O — CID 25110226

IUPAC5-[4-phenyl-3-(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole
SMILESFC(F)(F)c1cc(-c2nc(-c3ccncc3)no2)ccc1-c1ccccc1
InChIInChI=1S/C20H12F3N3O/c21-20(22,23)17-12-15(6-7-16(17)13-4-2-1-3-5-13)19-25-18(26-27-19)14-8-10-24-11-9-14/h1-12H
InChIKeyMWFIDGBCWSBVRW-UHFFFAOYSA-N
MW367.33 g/mol
LogP5.48
Rot. Bonds3

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

5-[4-phenyl-3-(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole (PubChem CID 25110226) has the molecular formula C20H12F3N3O and a molecular weight of 367.33 g/mol. Its IUPAC name is 5-[4-phenyl-3-(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[4-phenyl-3-(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole
PubChem CID25110226
Molecular FormulaC20H12F3N3O
Molecular Weight367.33 g/mol
Exact Mass367.09
IUPAC Name5-[4-phenyl-3-(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole
SMILESFC(F)(F)c1cc(-c2nc(-c3ccncc3)no2)ccc1-c1ccccc1
InChIInChI=1S/C20H12F3N3O/c21-20(22,23)17-12-15(6-7-16(17)13-4-2-1-3-5-13)19-25-18(26-27-19)14-8-10-24-11-9-14/h1-12H
InChIKeyMWFIDGBCWSBVRW-UHFFFAOYSA-N
XLogP5.48
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.33
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[4-phenyl-3-(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[4-phenyl-3-(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole (CID 25110226) is 5-[4-phenyl-3-(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[4-phenyl-3-(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[4-phenyl-3-(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole is FC(F)(F)c1cc(-c2nc(-c3ccncc3)no2)ccc1-c1ccccc1.
What is the InChIKey of 5-[4-phenyl-3-(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole?
The InChIKey is MWFIDGBCWSBVRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12F3N3O/c21-20(22,23)17-12-15(6-7-16(17)13-4-2-1-3-5-13)19-25-18(26-27-19)14-8-10-24-11-9-14/h1-12H.
What are the key properties of 5-[4-phenyl-3-(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole?
5-[4-phenyl-3-(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole has a molecular weight of 367.33 g/mol, XLogP of 5.48, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-phenyl-3-(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole is sourced from PubChem (CID 25110226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).