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

C17H10F6N2O — CID 5278385

IUPAC3-phenyl-5-[1,1,2-trifluoro-2-[4-(trifluoromethyl)phenyl]ethyl]-1,2,4-oxadiazole
SMILESFC(c1ccc(C(F)(F)F)cc1)C(F)(F)c1nc(-c2ccccc2)no1
InChIInChI=1S/C17H10F6N2O/c18-13(10-6-8-12(9-7-10)17(21,22)23)16(19,20)15-24-14(25-26-15)11-4-2-1-3-5-11/h1-9,13H
InChIKeyHNHRPOIMMRCUAC-UHFFFAOYSA-N
MW372.27 g/mol
LogP5.56
Rot. Bonds4

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

3-phenyl-5-[1,1,2-trifluoro-2-[4-(trifluoromethyl)phenyl]ethyl]-1,2,4-oxadiazole (PubChem CID 5278385) has the molecular formula C17H10F6N2O and a molecular weight of 372.27 g/mol. Its IUPAC name is 3-phenyl-5-[1,1,2-trifluoro-2-[4-(trifluoromethyl)phenyl]ethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-phenyl-5-[1,1,2-trifluoro-2-[4-(trifluoromethyl)phenyl]ethyl]-1,2,4-oxadiazole
PubChem CID5278385
Molecular FormulaC17H10F6N2O
Molecular Weight372.27 g/mol
Exact Mass372.07
IUPAC Name3-phenyl-5-[1,1,2-trifluoro-2-[4-(trifluoromethyl)phenyl]ethyl]-1,2,4-oxadiazole
SMILESFC(c1ccc(C(F)(F)F)cc1)C(F)(F)c1nc(-c2ccccc2)no1
InChIInChI=1S/C17H10F6N2O/c18-13(10-6-8-12(9-7-10)17(21,22)23)16(19,20)15-24-14(25-26-15)11-4-2-1-3-5-11/h1-9,13H
InChIKeyHNHRPOIMMRCUAC-UHFFFAOYSA-N
XLogP5.56
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.27
LogP ≤ 55.56
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
1,1,1-trifluoro-2-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-2-amine
CID 79797977
3-phenyl-5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 19324593
3-phenyl-5-[3-phenyl-5-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 25110336
3-phenyl-5-(2-phenylpropan-2-yl)-1,2,4-oxadiazole
CID 154838471
5-[6-methyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-3-phenyl-1,2,4-oxadiazole
CID 141185353
3-[4-(1-pyridin-2-ylethyl)phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 145421115
5-benzyl-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 23605175
3-(3-fluorophenyl)-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 90464045
2-chloro-N-[3-[5-[chloro(difluoro)methyl]-1,2,4-oxadiazol-3-yl]phenyl]-4-(trifluoromethyl)aniline
CID 175179342
3-(3-benzylsulfanylphenyl)-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 175179860
3-(3-phenyl-1,2,4-oxadiazol-5-yl)pentan-3-amine
CID 79804455

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-5-[1,1,2-trifluoro-2-[4-(trifluoromethyl)phenyl]ethyl]-1,2,4-oxadiazole?
The IUPAC name of 3-phenyl-5-[1,1,2-trifluoro-2-[4-(trifluoromethyl)phenyl]ethyl]-1,2,4-oxadiazole (CID 5278385) is 3-phenyl-5-[1,1,2-trifluoro-2-[4-(trifluoromethyl)phenyl]ethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-phenyl-5-[1,1,2-trifluoro-2-[4-(trifluoromethyl)phenyl]ethyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-phenyl-5-[1,1,2-trifluoro-2-[4-(trifluoromethyl)phenyl]ethyl]-1,2,4-oxadiazole is FC(c1ccc(C(F)(F)F)cc1)C(F)(F)c1nc(-c2ccccc2)no1.
What is the InChIKey of 3-phenyl-5-[1,1,2-trifluoro-2-[4-(trifluoromethyl)phenyl]ethyl]-1,2,4-oxadiazole?
The InChIKey is HNHRPOIMMRCUAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F6N2O/c18-13(10-6-8-12(9-7-10)17(21,22)23)16(19,20)15-24-14(25-26-15)11-4-2-1-3-5-11/h1-9,13H.
What are the key properties of 3-phenyl-5-[1,1,2-trifluoro-2-[4-(trifluoromethyl)phenyl]ethyl]-1,2,4-oxadiazole?
3-phenyl-5-[1,1,2-trifluoro-2-[4-(trifluoromethyl)phenyl]ethyl]-1,2,4-oxadiazole has a molecular weight of 372.27 g/mol, XLogP of 5.56, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-5-[1,1,2-trifluoro-2-[4-(trifluoromethyl)phenyl]ethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 5278385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).