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

C25H20F7N5O — CID 178128057

IUPAC5-[4-fluoro-3-(trifluoromethyl)phenyl]-3-[[4-[5-[2-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]methyl]-1,2,4-oxadiazole
SMILESFc1ccc(-c2nc(CN3CCC(c4ncc(-c5ccccc5C(F)(F)F)[nH]4)CC3)no2)cc1C(F)(F)F
InChIInChI=1S/C25H20F7N5O/c26-19-6-5-15(11-18(19)25(30,31)32)23-35-21(36-38-23)13-37-9-7-14(8-10-37)22-33-12-20(34-22)16-3-1-2-4-17(16)24(27,28)29/h1-6,11-12,14H,7-10,13H2,(H,33,34)
InChIKeyHLYCCXWDPKPDEV-UHFFFAOYSA-N
MW539.46 g/mol
LogP6.68
Rot. Bonds5

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

5-[4-fluoro-3-(trifluoromethyl)phenyl]-3-[[4-[5-[2-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]methyl]-1,2,4-oxadiazole (PubChem CID 178128057) has the molecular formula C25H20F7N5O and a molecular weight of 539.46 g/mol. Its IUPAC name is 5-[4-fluoro-3-(trifluoromethyl)phenyl]-3-[[4-[5-[2-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[4-fluoro-3-(trifluoromethyl)phenyl]-3-[[4-[5-[2-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]methyl]-1,2,4-oxadiazole
PubChem CID178128057
Molecular FormulaC25H20F7N5O
Molecular Weight539.46 g/mol
Exact Mass539.16
IUPAC Name5-[4-fluoro-3-(trifluoromethyl)phenyl]-3-[[4-[5-[2-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]methyl]-1,2,4-oxadiazole
SMILESFc1ccc(-c2nc(CN3CCC(c4ncc(-c5ccccc5C(F)(F)F)[nH]4)CC3)no2)cc1C(F)(F)F
InChIInChI=1S/C25H20F7N5O/c26-19-6-5-15(11-18(19)25(30,31)32)23-35-21(36-38-23)13-37-9-7-14(8-10-37)22-33-12-20(34-22)16-3-1-2-4-17(16)24(27,28)29/h1-6,11-12,14H,7-10,13H2,(H,33,34)
InChIKeyHLYCCXWDPKPDEV-UHFFFAOYSA-N
XLogP6.68
TPSA70.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.46
LogP ≤ 56.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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
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
4-[5-[4-fluoro-3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidine;dihydrochloride
CID 71742558
4-[5-[4-fluoro-3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-1-[4-(2-piperidin-4-yl-1H-imidazol-5-yl)-2-(trifluoromethyl)phenyl]piperidine
CID 134836577
5-fluoro-4-[4-[5-[4-fluoro-3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine;hydrochloride
CID 90169685
4-[5-[3-fluoro-4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidine
CID 66649801
3-[(2-fluorophenoxy)methyl]-5-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 46171762
5-naphthalen-2-yl-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole
CID 42879628
1-[1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]ethane-1,2-diol
CID 137340212
3-[[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methyl]-5-phenyl-1,2,4-oxadiazole
CID 112804232
[1-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-3-yl]methanol
CID 62370309

Frequently Asked Questions

What is the IUPAC name of 5-[4-fluoro-3-(trifluoromethyl)phenyl]-3-[[4-[5-[2-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]methyl]-1,2,4-oxadiazole?
The IUPAC name of 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) is 5-[4-fluoro-3-(trifluoromethyl)phenyl]-3-[[4-[5-[2-(trifluoromethyl)phenyl]-1H-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-[5-[2-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]methyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-[4-fluoro-3-(trifluoromethyl)phenyl]-3-[[4-[5-[2-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]methyl]-1,2,4-oxadiazole is Fc1ccc(-c2nc(CN3CCC(c4ncc(-c5ccccc5C(F)(F)F)[nH]4)CC3)no2)cc1C(F)(F)F.
What is the InChIKey of 5-[4-fluoro-3-(trifluoromethyl)phenyl]-3-[[4-[5-[2-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]methyl]-1,2,4-oxadiazole?
The InChIKey is HLYCCXWDPKPDEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F7N5O/c26-19-6-5-15(11-18(19)25(30,31)32)23-35-21(36-38-23)13-37-9-7-14(8-10-37)22-33-12-20(34-22)16-3-1-2-4-17(16)24(27,28)29/h1-6,11-12,14H,7-10,13H2,(H,33,34).
What are the key properties of 5-[4-fluoro-3-(trifluoromethyl)phenyl]-3-[[4-[5-[2-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]methyl]-1,2,4-oxadiazole?
5-[4-fluoro-3-(trifluoromethyl)phenyl]-3-[[4-[5-[2-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]methyl]-1,2,4-oxadiazole has a molecular weight of 539.46 g/mol, XLogP of 6.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-fluoro-3-(trifluoromethyl)phenyl]-3-[[4-[5-[2-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 178128057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).