5-[4-fluoro-3-(trifluoromethyl)phenyl]-3-[[4-[1-methyl-4-[4-(trifluoromethyl)phenyl]imidazol-2-yl]piperidin-1-yl]methyl]-1,2,4-oxadiazole

C26H22F7N5O — CID 178128063

IUPAC5-[4-fluoro-3-(trifluoromethyl)phenyl]-3-[[4-[1-methyl-4-[4-(trifluoromethyl)phenyl]imidazol-2-yl]piperidin-1-yl]methyl]-1,2,4-oxadiazole
SMILESCn1cc(-c2ccc(C(F)(F)F)cc2)nc1C1CCN(Cc2noc(-c3ccc(F)c(C(F)(F)F)c3)n2)CC1
InChIInChI=1S/C26H22F7N5O/c1-37-13-21(15-2-5-18(6-3-15)25(28,29)30)34-23(37)16-8-10-38(11-9-16)14-22-35-24(39-36-22)17-4-7-20(27)19(12-17)26(31,32)33/h2-7,12-13,16H,8-11,14H2,1H3
InChIKeyGCFHEEJYQLVLDG-UHFFFAOYSA-N
MW553.48 g/mol
LogP6.69
Rot. Bonds5

About 5-[4-fluoro-3-(trifluoromethyl)phenyl]-3-[[4-[1-methyl-4-[4-(trifluoromethyl)phenyl]imidazol-2-yl]piperidin-1-yl]methyl]-1,2,4-oxadiazole

5-[4-fluoro-3-(trifluoromethyl)phenyl]-3-[[4-[1-methyl-4-[4-(trifluoromethyl)phenyl]imidazol-2-yl]piperidin-1-yl]methyl]-1,2,4-oxadiazole (PubChem CID 178128063) has the molecular formula C26H22F7N5O and a molecular weight of 553.48 g/mol. Its IUPAC name is 5-[4-fluoro-3-(trifluoromethyl)phenyl]-3-[[4-[1-methyl-4-[4-(trifluoromethyl)phenyl]imidazol-2-yl]piperidin-1-yl]methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[4-fluoro-3-(trifluoromethyl)phenyl]-3-[[4-[1-methyl-4-[4-(trifluoromethyl)phenyl]imidazol-2-yl]piperidin-1-yl]methyl]-1,2,4-oxadiazole
PubChem CID178128063
Molecular FormulaC26H22F7N5O
Molecular Weight553.48 g/mol
Exact Mass553.17
IUPAC Name5-[4-fluoro-3-(trifluoromethyl)phenyl]-3-[[4-[1-methyl-4-[4-(trifluoromethyl)phenyl]imidazol-2-yl]piperidin-1-yl]methyl]-1,2,4-oxadiazole
SMILESCn1cc(-c2ccc(C(F)(F)F)cc2)nc1C1CCN(Cc2noc(-c3ccc(F)c(C(F)(F)F)c3)n2)CC1
InChIInChI=1S/C26H22F7N5O/c1-37-13-21(15-2-5-18(6-3-15)25(28,29)30)34-23(37)16-8-10-38(11-9-16)14-22-35-24(39-36-22)17-4-7-20(27)19(12-17)26(31,32)33/h2-7,12-13,16H,8-11,14H2,1H3
InChIKeyGCFHEEJYQLVLDG-UHFFFAOYSA-N
XLogP6.69
TPSA59.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500553.48
LogP ≤ 56.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-[4-fluoro-3-(trifluoromethyl)phenyl]-3-[[4-[5-[2-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 178128057
trifluoro-[3-[2-[1-[[5-[4-fluoro-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]-1H-imidazol-5-yl]phenyl]-λ4-sulfane
CID 178128060
ethane;5-[4-ethynyl-3-(trifluoromethyl)phenyl]-3-[[4-[5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]methyl]-1,2,4-oxadiazole;methane
CID 178128061
3-cyclopropyl-4-[4-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylimidazol-2-yl]piperidin-1-yl]-2H-pyrazolo[3,4-d]pyrimidine
CID 90169588
6-[4-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylimidazol-2-yl]piperidin-1-yl]-5-pyridin-4-ylpyrimidin-4-amine
CID 89445387
6-[4-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylimidazol-2-yl]piperidin-1-yl]-5-methoxypyrimidin-4-amine
CID 89442709
[4-[4-[4-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylimidazol-2-yl]piperidin-1-yl]pyrimidin-5-yl]phenyl]methanamine
CID 150319524
3-ethyl-6-(2-fluorophenyl)-5-[4-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylimidazol-2-yl]piperidin-1-yl]-4H-azepin-7-amine
CID 123371374
5-(6-chloro-3-pyridinyl)-6-[4-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylimidazol-2-yl]piperidin-1-yl]-N-methylpyrimidin-4-amine
CID 130255645
3-chloro-2,2-dimethyl-1-[4-[[5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]propan-1-one
CID 42692069
tert-butyl 4-[1-[2-(dimethylamino)ethyl]-4-[4-fluoro-3-(trifluoromethyl)phenyl]imidazol-2-yl]piperidine-1-carboxylate
CID 67264844
2-(4-methoxyphenyl)-1-[4-[[5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]ethanone
CID 42879730

Frequently Asked Questions

What is the IUPAC name of 5-[4-fluoro-3-(trifluoromethyl)phenyl]-3-[[4-[1-methyl-4-[4-(trifluoromethyl)phenyl]imidazol-2-yl]piperidin-1-yl]methyl]-1,2,4-oxadiazole?
The IUPAC name of 5-[4-fluoro-3-(trifluoromethyl)phenyl]-3-[[4-[1-methyl-4-[4-(trifluoromethyl)phenyl]imidazol-2-yl]piperidin-1-yl]methyl]-1,2,4-oxadiazole (CID 178128063) is 5-[4-fluoro-3-(trifluoromethyl)phenyl]-3-[[4-[1-methyl-4-[4-(trifluoromethyl)phenyl]imidazol-2-yl]piperidin-1-yl]methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-[4-fluoro-3-(trifluoromethyl)phenyl]-3-[[4-[1-methyl-4-[4-(trifluoromethyl)phenyl]imidazol-2-yl]piperidin-1-yl]methyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-[4-fluoro-3-(trifluoromethyl)phenyl]-3-[[4-[1-methyl-4-[4-(trifluoromethyl)phenyl]imidazol-2-yl]piperidin-1-yl]methyl]-1,2,4-oxadiazole is Cn1cc(-c2ccc(C(F)(F)F)cc2)nc1C1CCN(Cc2noc(-c3ccc(F)c(C(F)(F)F)c3)n2)CC1.
What is the InChIKey of 5-[4-fluoro-3-(trifluoromethyl)phenyl]-3-[[4-[1-methyl-4-[4-(trifluoromethyl)phenyl]imidazol-2-yl]piperidin-1-yl]methyl]-1,2,4-oxadiazole?
The InChIKey is GCFHEEJYQLVLDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22F7N5O/c1-37-13-21(15-2-5-18(6-3-15)25(28,29)30)34-23(37)16-8-10-38(11-9-16)14-22-35-24(39-36-22)17-4-7-20(27)19(12-17)26(31,32)33/h2-7,12-13,16H,8-11,14H2,1H3.
What are the key properties of 5-[4-fluoro-3-(trifluoromethyl)phenyl]-3-[[4-[1-methyl-4-[4-(trifluoromethyl)phenyl]imidazol-2-yl]piperidin-1-yl]methyl]-1,2,4-oxadiazole?
5-[4-fluoro-3-(trifluoromethyl)phenyl]-3-[[4-[1-methyl-4-[4-(trifluoromethyl)phenyl]imidazol-2-yl]piperidin-1-yl]methyl]-1,2,4-oxadiazole has a molecular weight of 553.48 g/mol, XLogP of 6.69, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-fluoro-3-(trifluoromethyl)phenyl]-3-[[4-[1-methyl-4-[4-(trifluoromethyl)phenyl]imidazol-2-yl]piperidin-1-yl]methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 178128063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).