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

C21H12ClF3N4O3 — CID 68745129

IUPAC5-[3-chloro-6-(furan-2-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-3-(phenoxymethyl)-1,2,4-oxadiazole
SMILESFC(F)(F)c1cc(-c2ccco2)cn2c(Cl)c(-c3nc(COc4ccccc4)no3)nc12
InChIInChI=1S/C21H12ClF3N4O3/c22-18-17(20-26-16(28-32-20)11-31-13-5-2-1-3-6-13)27-19-14(21(23,24)25)9-12(10-29(18)19)15-7-4-8-30-15/h1-10H,11H2
InChIKeyVHITZONCCNBMFR-UHFFFAOYSA-N
MW460.80 g/mol
LogP5.90
Rot. Bonds5

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

5-[3-chloro-6-(furan-2-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-3-(phenoxymethyl)-1,2,4-oxadiazole (PubChem CID 68745129) has the molecular formula C21H12ClF3N4O3 and a molecular weight of 460.80 g/mol. Its IUPAC name is 5-[3-chloro-6-(furan-2-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-3-(phenoxymethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[3-chloro-6-(furan-2-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-3-(phenoxymethyl)-1,2,4-oxadiazole
PubChem CID68745129
Molecular FormulaC21H12ClF3N4O3
Molecular Weight460.80 g/mol
Exact Mass460.06
IUPAC Name5-[3-chloro-6-(furan-2-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-3-(phenoxymethyl)-1,2,4-oxadiazole
SMILESFC(F)(F)c1cc(-c2ccco2)cn2c(Cl)c(-c3nc(COc4ccccc4)no3)nc12
InChIInChI=1S/C21H12ClF3N4O3/c22-18-17(20-26-16(28-32-20)11-31-13-5-2-1-3-6-13)27-19-14(21(23,24)25)9-12(10-29(18)19)15-7-4-8-30-15/h1-10H,11H2
InChIKeyVHITZONCCNBMFR-UHFFFAOYSA-N
XLogP5.90
TPSA78.59 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.80
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[3-chloro-6-(furan-2-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-3-(phenoxymethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[3-chloro-6-(furan-2-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-3-(phenoxymethyl)-1,2,4-oxadiazole (CID 68745129) is 5-[3-chloro-6-(furan-2-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-3-(phenoxymethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[3-chloro-6-(furan-2-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-3-(phenoxymethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[3-chloro-6-(furan-2-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-3-(phenoxymethyl)-1,2,4-oxadiazole is FC(F)(F)c1cc(-c2ccco2)cn2c(Cl)c(-c3nc(COc4ccccc4)no3)nc12.
What is the InChIKey of 5-[3-chloro-6-(furan-2-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-3-(phenoxymethyl)-1,2,4-oxadiazole?
The InChIKey is VHITZONCCNBMFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H12ClF3N4O3/c22-18-17(20-26-16(28-32-20)11-31-13-5-2-1-3-6-13)27-19-14(21(23,24)25)9-12(10-29(18)19)15-7-4-8-30-15/h1-10H,11H2.
What are the key properties of 5-[3-chloro-6-(furan-2-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-3-(phenoxymethyl)-1,2,4-oxadiazole?
5-[3-chloro-6-(furan-2-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-3-(phenoxymethyl)-1,2,4-oxadiazole has a molecular weight of 460.80 g/mol, XLogP of 5.90, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-chloro-6-(furan-2-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-3-(phenoxymethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 68745129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).