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

C21H15F3N2O — CID 143910130

IUPAC3-phenyl-5-[3-phenyl-5-(trifluoromethyl)phenyl]-2,5-dihydro-1,2,4-oxadiazole
SMILESFC(F)(F)c1cc(-c2ccccc2)cc(C2N=C(c3ccccc3)NO2)c1
InChIInChI=1S/C21H15F3N2O/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/h1-13,20H,(H,25,26)
InChIKeyFJPREQBKTMAGIR-UHFFFAOYSA-N
MW368.36 g/mol
LogP5.35
Rot. Bonds3

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

3-phenyl-5-[3-phenyl-5-(trifluoromethyl)phenyl]-2,5-dihydro-1,2,4-oxadiazole (PubChem CID 143910130) has the molecular formula C21H15F3N2O and a molecular weight of 368.36 g/mol. Its IUPAC name is 3-phenyl-5-[3-phenyl-5-(trifluoromethyl)phenyl]-2,5-dihydro-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-phenyl-5-[3-phenyl-5-(trifluoromethyl)phenyl]-2,5-dihydro-1,2,4-oxadiazole
PubChem CID143910130
Molecular FormulaC21H15F3N2O
Molecular Weight368.36 g/mol
Exact Mass368.11
IUPAC Name3-phenyl-5-[3-phenyl-5-(trifluoromethyl)phenyl]-2,5-dihydro-1,2,4-oxadiazole
SMILESFC(F)(F)c1cc(-c2ccccc2)cc(C2N=C(c3ccccc3)NO2)c1
InChIInChI=1S/C21H15F3N2O/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/h1-13,20H,(H,25,26)
InChIKeyFJPREQBKTMAGIR-UHFFFAOYSA-N
XLogP5.35
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.36
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-phenyl-5-[3-phenyl-5-(trifluoromethyl)phenyl]-2,5-dihydro-1,2,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(2,4-Difluorophenyl)-3-(2-methylphenyl)-2,5-dihydro-1,2,4-oxadiazole
CID 2998681
3,5,5-Triphenyl-4,5-dihydro-1,2,4-oxadiazole
CID 1820203
N-methoxy-2-methoxyimino-N'-methyl-2-[2-[[1-[3-(trifluoromethyl)phenyl]ethenylamino]oxymethyl]phenyl]ethanimidamide
CID 90971576
5-[4-Phenyl-3-(trifluoromethyl)phenyl]-3-[4-(pyrrolidin-1-ylmethyl)phenyl]-2,3-dihydro-1,2,4-oxadiazole
CID 143909936
5-[3-Bromo-5-(trifluoromethyl)phenyl]-3-(2-methylphenyl)-2,5-dihydro-1,2,4-oxadiazole
CID 143909984
3-(2-Methylphenyl)-5-[3-phenyl-5-(trifluoromethyl)phenyl]-2,5-dihydro-1,2,4-oxadiazole
CID 143910029
S-[4-[5-[4-phenyl-3-(trifluoromethyl)phenyl]-2,5-dihydro-1,2,4-oxadiazol-3-yl]phenyl]thiohydroxylamine
CID 143910083
5-[3,5-Bis(trifluoromethyl)phenyl]-3-(2-methylphenyl)-2,5-dihydro-1,2,4-oxadiazole
CID 143910158
Ethane;3-phenyl-5-[3-phenyl-5-(trifluoromethyl)phenyl]-2,5-dihydro-1,2,4-oxadiazole
CID 143910290
3-(3-Methylphenyl)-5-phenyl-2,5-dihydro-1,2,4-oxadiazole
CID 13793481
5,5-bis(4-methylphenyl)-3-phenyl-2H-1,2,4-oxadiazole
CID 85837763
3,5,5-tris(4-methylphenyl)-2H-1,2,4-oxadiazole
CID 85837765

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-5-[3-phenyl-5-(trifluoromethyl)phenyl]-2,5-dihydro-1,2,4-oxadiazole?
The IUPAC name of 3-phenyl-5-[3-phenyl-5-(trifluoromethyl)phenyl]-2,5-dihydro-1,2,4-oxadiazole (CID 143910130) is 3-phenyl-5-[3-phenyl-5-(trifluoromethyl)phenyl]-2,5-dihydro-1,2,4-oxadiazole.
What is the SMILES notation for 3-phenyl-5-[3-phenyl-5-(trifluoromethyl)phenyl]-2,5-dihydro-1,2,4-oxadiazole?
The canonical SMILES for 3-phenyl-5-[3-phenyl-5-(trifluoromethyl)phenyl]-2,5-dihydro-1,2,4-oxadiazole is FC(F)(F)c1cc(-c2ccccc2)cc(C2N=C(c3ccccc3)NO2)c1.
What is the InChIKey of 3-phenyl-5-[3-phenyl-5-(trifluoromethyl)phenyl]-2,5-dihydro-1,2,4-oxadiazole?
The InChIKey is FJPREQBKTMAGIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F3N2O/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/h1-13,20H,(H,25,26).
What are the key properties of 3-phenyl-5-[3-phenyl-5-(trifluoromethyl)phenyl]-2,5-dihydro-1,2,4-oxadiazole?
3-phenyl-5-[3-phenyl-5-(trifluoromethyl)phenyl]-2,5-dihydro-1,2,4-oxadiazole has a molecular weight of 368.36 g/mol, XLogP of 5.35, 3 rotatable bonds, 1 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]-2,5-dihydro-1,2,4-oxadiazole is sourced from PubChem (CID 143910130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).