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

C21H13F3N2O — CID 25110336

IUPAC3-phenyl-5-[3-phenyl-5-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
SMILESFC(F)(F)c1cc(-c2ccccc2)cc(-c2nc(-c3ccccc3)no2)c1
InChIInChI=1S/C21H13F3N2O/c22-21(23,24)18-12-16(14-7-3-1-4-8-14)11-17(13-18)20-25-19(26-27-20)15-9-5-2-6-10-15/h1-13H
InChIKeyTWMOIMKPRRRVIS-UHFFFAOYSA-N
MW366.34 g/mol
LogP6.09
Rot. Bonds3

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

3-phenyl-5-[3-phenyl-5-(trifluoromethyl)phenyl]-1,2,4-oxadiazole (PubChem CID 25110336) has the molecular formula C21H13F3N2O and a molecular weight of 366.34 g/mol. Its IUPAC name is 3-phenyl-5-[3-phenyl-5-(trifluoromethyl)phenyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-phenyl-5-[3-phenyl-5-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
PubChem CID25110336
Molecular FormulaC21H13F3N2O
Molecular Weight366.34 g/mol
Exact Mass366.10
IUPAC Name3-phenyl-5-[3-phenyl-5-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
SMILESFC(F)(F)c1cc(-c2ccccc2)cc(-c2nc(-c3ccccc3)no2)c1
InChIInChI=1S/C21H13F3N2O/c22-21(23,24)18-12-16(14-7-3-1-4-8-14)11-17(13-18)20-25-19(26-27-20)15-9-5-2-6-10-15/h1-13H
InChIKeyTWMOIMKPRRRVIS-UHFFFAOYSA-N
XLogP6.09
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.34
LogP ≤ 56.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-[3,5-bis(trifluoromethyl)phenyl]-3-phenyl-1,2,4-oxadiazole
CID 25110321
3-phenyl-5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 19324593
5-[6-methyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-3-phenyl-1,2,4-oxadiazole
CID 141185353
5-(3-bromophenyl)-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 5191480
5-(4-tert-butylphenyl)-3-(4-phenylphenyl)-1,2,4-oxadiazole
CID 22134303
3-phenyl-5-[6-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-1,2,4-oxadiazole
CID 141167616
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-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
2-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]benzoic acid
CID 97057771

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-5-[3-phenyl-5-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?
The IUPAC name of 3-phenyl-5-[3-phenyl-5-(trifluoromethyl)phenyl]-1,2,4-oxadiazole (CID 25110336) is 3-phenyl-5-[3-phenyl-5-(trifluoromethyl)phenyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-phenyl-5-[3-phenyl-5-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-phenyl-5-[3-phenyl-5-(trifluoromethyl)phenyl]-1,2,4-oxadiazole is FC(F)(F)c1cc(-c2ccccc2)cc(-c2nc(-c3ccccc3)no2)c1.
What is the InChIKey of 3-phenyl-5-[3-phenyl-5-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?
The InChIKey is TWMOIMKPRRRVIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13F3N2O/c22-21(23,24)18-12-16(14-7-3-1-4-8-14)11-17(13-18)20-25-19(26-27-20)15-9-5-2-6-10-15/h1-13H.
What are the key properties of 3-phenyl-5-[3-phenyl-5-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?
3-phenyl-5-[3-phenyl-5-(trifluoromethyl)phenyl]-1,2,4-oxadiazole has a molecular weight of 366.34 g/mol, XLogP of 6.09, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-5-[3-phenyl-5-(trifluoromethyl)phenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 25110336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).