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

C18H11F3N4O — CID 136653388

IUPAC5-(5-phenyl-1H-pyrazol-4-yl)-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
SMILESFC(F)(F)c1cccc(-c2noc(-c3cn[nH]c3-c3ccccc3)n2)c1
InChIInChI=1S/C18H11F3N4O/c19-18(20,21)13-8-4-7-12(9-13)16-23-17(26-25-16)14-10-22-24-15(14)11-5-2-1-3-6-11/h1-10H,(H,22,24)
InChIKeyQIYATOXFQPTRLE-UHFFFAOYSA-N
MW356.31 g/mol
LogP4.81
Rot. Bonds3

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

5-(5-phenyl-1H-pyrazol-4-yl)-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole (PubChem CID 136653388) has the molecular formula C18H11F3N4O and a molecular weight of 356.31 g/mol. Its IUPAC name is 5-(5-phenyl-1H-pyrazol-4-yl)-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(5-phenyl-1H-pyrazol-4-yl)-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
PubChem CID136653388
Molecular FormulaC18H11F3N4O
Molecular Weight356.31 g/mol
Exact Mass356.09
IUPAC Name5-(5-phenyl-1H-pyrazol-4-yl)-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
SMILESFC(F)(F)c1cccc(-c2noc(-c3cn[nH]c3-c3ccccc3)n2)c1
InChIInChI=1S/C18H11F3N4O/c19-18(20,21)13-8-4-7-12(9-13)16-23-17(26-25-16)14-10-22-24-15(14)11-5-2-1-3-6-11/h1-10H,(H,22,24)
InChIKeyQIYATOXFQPTRLE-UHFFFAOYSA-N
XLogP4.81
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.31
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(5-phenyl-1H-pyrazol-4-yl)-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?
The IUPAC name of 5-(5-phenyl-1H-pyrazol-4-yl)-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole (CID 136653388) is 5-(5-phenyl-1H-pyrazol-4-yl)-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-(5-phenyl-1H-pyrazol-4-yl)-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-(5-phenyl-1H-pyrazol-4-yl)-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole is FC(F)(F)c1cccc(-c2noc(-c3cn[nH]c3-c3ccccc3)n2)c1.
What is the InChIKey of 5-(5-phenyl-1H-pyrazol-4-yl)-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?
The InChIKey is QIYATOXFQPTRLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F3N4O/c19-18(20,21)13-8-4-7-12(9-13)16-23-17(26-25-16)14-10-22-24-15(14)11-5-2-1-3-6-11/h1-10H,(H,22,24).
What are the key properties of 5-(5-phenyl-1H-pyrazol-4-yl)-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?
5-(5-phenyl-1H-pyrazol-4-yl)-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole has a molecular weight of 356.31 g/mol, XLogP of 4.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-phenyl-1H-pyrazol-4-yl)-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 136653388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).