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

C9H5F3N2O — CID 22244128

IUPAC5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
SMILESFC(F)(F)c1ccc(-c2ncno2)cc1
InChIInChI=1S/C9H5F3N2O/c10-9(11,12)7-3-1-6(2-4-7)8-13-5-14-15-8/h1-5H
InChIKeyOGHHRGAINNVMDZ-UHFFFAOYSA-N
MW214.15 g/mol
LogP2.76
Rot. Bonds1

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

5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole (PubChem CID 22244128) has the molecular formula C9H5F3N2O and a molecular weight of 214.15 g/mol. Its IUPAC name is 5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
PubChem CID22244128
Molecular FormulaC9H5F3N2O
Molecular Weight214.15 g/mol
Exact Mass214.04
IUPAC Name5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
SMILESFC(F)(F)c1ccc(-c2ncno2)cc1
InChIInChI=1S/C9H5F3N2O/c10-9(11,12)7-3-1-6(2-4-7)8-13-5-14-15-8/h1-5H
InChIKeyOGHHRGAINNVMDZ-UHFFFAOYSA-N
XLogP2.76
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.15
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?
The IUPAC name of 5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole (CID 22244128) is 5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole is FC(F)(F)c1ccc(-c2ncno2)cc1.
What is the InChIKey of 5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?
The InChIKey is OGHHRGAINNVMDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F3N2O/c10-9(11,12)7-3-1-6(2-4-7)8-13-5-14-15-8/h1-5H.
What are the key properties of 5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?
5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole has a molecular weight of 214.15 g/mol, XLogP of 2.76, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 22244128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).