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

C16H8F6N2O — CID 25110321

IUPAC5-[3,5-bis(trifluoromethyl)phenyl]-3-phenyl-1,2,4-oxadiazole
SMILESFC(F)(F)c1cc(-c2nc(-c3ccccc3)no2)cc(C(F)(F)F)c1
InChIInChI=1S/C16H8F6N2O/c17-15(18,19)11-6-10(7-12(8-11)16(20,21)22)14-23-13(24-25-14)9-4-2-1-3-5-9/h1-8H
InChIKeyGVCFJIPEZIBTOL-UHFFFAOYSA-N
MW358.24 g/mol
LogP5.44
Rot. Bonds2

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

5-[3,5-bis(trifluoromethyl)phenyl]-3-phenyl-1,2,4-oxadiazole (PubChem CID 25110321) has the molecular formula C16H8F6N2O and a molecular weight of 358.24 g/mol. Its IUPAC name is 5-[3,5-bis(trifluoromethyl)phenyl]-3-phenyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[3,5-bis(trifluoromethyl)phenyl]-3-phenyl-1,2,4-oxadiazole
PubChem CID25110321
Molecular FormulaC16H8F6N2O
Molecular Weight358.24 g/mol
Exact Mass358.05
IUPAC Name5-[3,5-bis(trifluoromethyl)phenyl]-3-phenyl-1,2,4-oxadiazole
SMILESFC(F)(F)c1cc(-c2nc(-c3ccccc3)no2)cc(C(F)(F)F)c1
InChIInChI=1S/C16H8F6N2O/c17-15(18,19)11-6-10(7-12(8-11)16(20,21)22)14-23-13(24-25-14)9-4-2-1-3-5-9/h1-8H
InChIKeyGVCFJIPEZIBTOL-UHFFFAOYSA-N
XLogP5.44
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.24
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-phenyl-5-[3-phenyl-5-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 25110336
3-phenyl-5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 19324593
5-(3-bromophenyl)-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 5191480
5-[6-methyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-3-phenyl-1,2,4-oxadiazole
CID 141185353
5-[3,5-bis(trifluoromethyl)phenyl]-3-[4-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazole
CID 22744077
3-(4-methylphenyl)-5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 19614165
5-(4-bromophenyl)-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 1362600
5-(4-tert-butylphenyl)-3-(4-phenylphenyl)-1,2,4-oxadiazole
CID 22134303
5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 4077460
3-(3-methylphenyl)-5-phenyl-1,2,4-oxadiazole
CID 2239223
5-(3,4-dichlorophenyl)-3-phenyl-1,2,4-oxadiazole
CID 704271
3-phenyl-5-[1,1,2-trifluoro-2-[4-(trifluoromethyl)phenyl]ethyl]-1,2,4-oxadiazole
CID 5278385

Frequently Asked Questions

What is the IUPAC name of 5-[3,5-bis(trifluoromethyl)phenyl]-3-phenyl-1,2,4-oxadiazole?
The IUPAC name of 5-[3,5-bis(trifluoromethyl)phenyl]-3-phenyl-1,2,4-oxadiazole (CID 25110321) is 5-[3,5-bis(trifluoromethyl)phenyl]-3-phenyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[3,5-bis(trifluoromethyl)phenyl]-3-phenyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[3,5-bis(trifluoromethyl)phenyl]-3-phenyl-1,2,4-oxadiazole is FC(F)(F)c1cc(-c2nc(-c3ccccc3)no2)cc(C(F)(F)F)c1.
What is the InChIKey of 5-[3,5-bis(trifluoromethyl)phenyl]-3-phenyl-1,2,4-oxadiazole?
The InChIKey is GVCFJIPEZIBTOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8F6N2O/c17-15(18,19)11-6-10(7-12(8-11)16(20,21)22)14-23-13(24-25-14)9-4-2-1-3-5-9/h1-8H.
What are the key properties of 5-[3,5-bis(trifluoromethyl)phenyl]-3-phenyl-1,2,4-oxadiazole?
5-[3,5-bis(trifluoromethyl)phenyl]-3-phenyl-1,2,4-oxadiazole has a molecular weight of 358.24 g/mol, XLogP of 5.44, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3,5-bis(trifluoromethyl)phenyl]-3-phenyl-1,2,4-oxadiazole is sourced from PubChem (CID 25110321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).