3-benzyl-5-[[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]-1,2,4-oxadiazole

C22H15F3N4O2 — CID 46864506

IUPAC3-benzyl-5-[[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]-1,2,4-oxadiazole
SMILESFC(F)(F)c1cc(-c2ccoc2)cn2cc(Cc3nc(Cc4ccccc4)no3)nc12
InChIInChI=1S/C22H15F3N4O2/c23-22(24,25)18-9-16(15-6-7-30-13-15)11-29-12-17(26-21(18)29)10-20-27-19(28-31-20)8-14-4-2-1-3-5-14/h1-7,9,11-13H,8,10H2
InChIKeyAKTFGBYBHVFIPB-UHFFFAOYSA-N
MW424.38 g/mol
LogP5.18
Rot. Bonds5

About 3-benzyl-5-[[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]-1,2,4-oxadiazole

3-benzyl-5-[[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]-1,2,4-oxadiazole (PubChem CID 46864506) has the molecular formula C22H15F3N4O2 and a molecular weight of 424.38 g/mol. Its IUPAC name is 3-benzyl-5-[[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-benzyl-5-[[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]-1,2,4-oxadiazole
PubChem CID46864506
Molecular FormulaC22H15F3N4O2
Molecular Weight424.38 g/mol
Exact Mass424.11
IUPAC Name3-benzyl-5-[[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]-1,2,4-oxadiazole
SMILESFC(F)(F)c1cc(-c2ccoc2)cn2cc(Cc3nc(Cc4ccccc4)no3)nc12
InChIInChI=1S/C22H15F3N4O2/c23-22(24,25)18-9-16(15-6-7-30-13-15)11-29-12-17(26-21(18)29)10-20-27-19(28-31-20)8-14-4-2-1-3-5-14/h1-7,9,11-13H,8,10H2
InChIKeyAKTFGBYBHVFIPB-UHFFFAOYSA-N
XLogP5.18
TPSA69.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.38
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,6-dimethylbenzyl)-6-(furan-2-yl)-2,3-dimethylimidazo[1,2-a]pyridin-8-amine
CID 24890348
1-[1-[3-Chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperidin-4-yl]pyrrolidin-2-one
CID 46870989
4-[3-Chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-phenylpiperazin-2-one
CID 51356732
4-[3-Chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-cyclohexylpiperazin-2-one
CID 51357006
(3-Chloro-6-furan-3-yl-8-trifluoromethyl-imidazo[1,2-a]pyridin-2-yl)-[3-(2-fluoro-phenyl)-pyrrolidin-1-yl]-methanone
CID 57774684
[3-Chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-(4-phenylpiperazin-1-yl)methanone
CID 57774713
[3-Chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-(3-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 57774909
N-[4-fluoro-3-[6-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]pyrrolidine-1-carboxamide
CID 76314293
N-(6-(4-(4-fluorophenyl)-1-(furan-3-ylmethyl)-1H-imidazol-5-yl)imidazo[1,2-b]pyridazin-2-yl)pivalamide
CID 118538720
[4-[[[2-(Furan-3-yl)imidazo[1,2-a]pyridin-3-yl]amino]methyl]piperidin-1-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone;bis(2,2,2-trifluoroacetic acid)
CID 45488670
N-[6-(furan-3-yl)-3-phenylimidazo[1,2-a]pyridin-8-yl]acetamide
CID 49791134
2-(4-fluorophenyl)-N-(3-furylmethyl)imidazo[1,2-a]pyridine-6-carboxamide
CID 72941242

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-5-[[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]-1,2,4-oxadiazole?
The IUPAC name of 3-benzyl-5-[[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]-1,2,4-oxadiazole (CID 46864506) is 3-benzyl-5-[[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-benzyl-5-[[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-benzyl-5-[[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]-1,2,4-oxadiazole is FC(F)(F)c1cc(-c2ccoc2)cn2cc(Cc3nc(Cc4ccccc4)no3)nc12.
What is the InChIKey of 3-benzyl-5-[[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]-1,2,4-oxadiazole?
The InChIKey is AKTFGBYBHVFIPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F3N4O2/c23-22(24,25)18-9-16(15-6-7-30-13-15)11-29-12-17(26-21(18)29)10-20-27-19(28-31-20)8-14-4-2-1-3-5-14/h1-7,9,11-13H,8,10H2.
What are the key properties of 3-benzyl-5-[[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]-1,2,4-oxadiazole?
3-benzyl-5-[[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]-1,2,4-oxadiazole has a molecular weight of 424.38 g/mol, XLogP of 5.18, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-5-[[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 46864506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).