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

C16H9F3N4OS — CID 16956642

IUPAC5-(5-thiophen-2-yl-1H-pyrazol-3-yl)-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
SMILESFC(F)(F)c1cccc(-c2noc(-c3cc(-c4cccs4)[nH]n3)n2)c1
InChIInChI=1S/C16H9F3N4OS/c17-16(18,19)10-4-1-3-9(7-10)14-20-15(24-23-14)12-8-11(21-22-12)13-5-2-6-25-13/h1-8H,(H,21,22)
InChIKeyBKEZIPWCGCATRJ-UHFFFAOYSA-N
MW362.34 g/mol
LogP4.87
Rot. Bonds3

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

5-(5-thiophen-2-yl-1H-pyrazol-3-yl)-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole (PubChem CID 16956642) has the molecular formula C16H9F3N4OS and a molecular weight of 362.34 g/mol. Its IUPAC name is 5-(5-thiophen-2-yl-1H-pyrazol-3-yl)-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(5-thiophen-2-yl-1H-pyrazol-3-yl)-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
PubChem CID16956642
Molecular FormulaC16H9F3N4OS
Molecular Weight362.34 g/mol
Exact Mass362.04
IUPAC Name5-(5-thiophen-2-yl-1H-pyrazol-3-yl)-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
SMILESFC(F)(F)c1cccc(-c2noc(-c3cc(-c4cccs4)[nH]n3)n2)c1
InChIInChI=1S/C16H9F3N4OS/c17-16(18,19)10-4-1-3-9(7-10)14-20-15(24-23-14)12-8-11(21-22-12)13-5-2-6-25-13/h1-8H,(H,21,22)
InChIKeyBKEZIPWCGCATRJ-UHFFFAOYSA-N
XLogP4.87
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.34
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(5-thiophen-2-yl-1H-pyrazol-3-yl)-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?
The IUPAC name of 5-(5-thiophen-2-yl-1H-pyrazol-3-yl)-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole (CID 16956642) is 5-(5-thiophen-2-yl-1H-pyrazol-3-yl)-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-(5-thiophen-2-yl-1H-pyrazol-3-yl)-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-(5-thiophen-2-yl-1H-pyrazol-3-yl)-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole is FC(F)(F)c1cccc(-c2noc(-c3cc(-c4cccs4)[nH]n3)n2)c1.
What is the InChIKey of 5-(5-thiophen-2-yl-1H-pyrazol-3-yl)-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?
The InChIKey is BKEZIPWCGCATRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9F3N4OS/c17-16(18,19)10-4-1-3-9(7-10)14-20-15(24-23-14)12-8-11(21-22-12)13-5-2-6-25-13/h1-8H,(H,21,22).
What are the key properties of 5-(5-thiophen-2-yl-1H-pyrazol-3-yl)-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?
5-(5-thiophen-2-yl-1H-pyrazol-3-yl)-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole has a molecular weight of 362.34 g/mol, XLogP of 4.87, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-thiophen-2-yl-1H-pyrazol-3-yl)-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 16956642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).