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

C21H13F3N4O2 — CID 46864505

IUPAC5-[[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]-3-phenyl-1,2,4-oxadiazole
SMILESFC(F)(F)c1cc(-c2ccoc2)cn2cc(Cc3nc(-c4ccccc4)no3)nc12
InChIInChI=1S/C21H13F3N4O2/c22-21(23,24)17-8-15(14-6-7-29-12-14)10-28-11-16(25-20(17)28)9-18-26-19(27-30-18)13-4-2-1-3-5-13/h1-8,10-12H,9H2
InChIKeyGIMRQLAXLWJNGD-UHFFFAOYSA-N
MW410.36 g/mol
LogP5.25
Rot. Bonds4

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

5-[[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]-3-phenyl-1,2,4-oxadiazole (PubChem CID 46864505) has the molecular formula C21H13F3N4O2 and a molecular weight of 410.36 g/mol. Its IUPAC name is 5-[[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]-3-phenyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]-3-phenyl-1,2,4-oxadiazole
PubChem CID46864505
Molecular FormulaC21H13F3N4O2
Molecular Weight410.36 g/mol
Exact Mass410.10
IUPAC Name5-[[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]-3-phenyl-1,2,4-oxadiazole
SMILESFC(F)(F)c1cc(-c2ccoc2)cn2cc(Cc3nc(-c4ccccc4)no3)nc12
InChIInChI=1S/C21H13F3N4O2/c22-21(23,24)17-8-15(14-6-7-29-12-14)10-28-11-16(25-20(17)28)9-18-26-19(27-30-18)13-4-2-1-3-5-13/h1-8,10-12H,9H2
InChIKeyGIMRQLAXLWJNGD-UHFFFAOYSA-N
XLogP5.25
TPSA69.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.36
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]-3-phenyl-1,2,4-oxadiazole?
The IUPAC name of 5-[[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]-3-phenyl-1,2,4-oxadiazole (CID 46864505) is 5-[[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]-3-phenyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]-3-phenyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]-3-phenyl-1,2,4-oxadiazole is FC(F)(F)c1cc(-c2ccoc2)cn2cc(Cc3nc(-c4ccccc4)no3)nc12.
What is the InChIKey of 5-[[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]-3-phenyl-1,2,4-oxadiazole?
The InChIKey is GIMRQLAXLWJNGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13F3N4O2/c22-21(23,24)17-8-15(14-6-7-29-12-14)10-28-11-16(25-20(17)28)9-18-26-19(27-30-18)13-4-2-1-3-5-13/h1-8,10-12H,9H2.
What are the key properties of 5-[[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]-3-phenyl-1,2,4-oxadiazole?
5-[[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]-3-phenyl-1,2,4-oxadiazole has a molecular weight of 410.36 g/mol, XLogP of 5.25, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]-3-phenyl-1,2,4-oxadiazole is sourced from PubChem (CID 46864505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).