5-[4-phenyl-5-(trifluoromethyl)furan-2-yl]-3-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]-1,2,4-oxadiazole

C21H10F6N4O2 — CID 59145482

IUPAC5-[4-phenyl-5-(trifluoromethyl)furan-2-yl]-3-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]-1,2,4-oxadiazole
SMILESFC(F)(F)c1nc2ccc(-c3noc(-c4cc(-c5ccccc5)c(C(F)(F)F)o4)n3)cc2[nH]1
InChIInChI=1S/C21H10F6N4O2/c22-20(23,24)16-12(10-4-2-1-3-5-10)9-15(32-16)18-30-17(31-33-18)11-6-7-13-14(8-11)29-19(28-13)21(25,26)27/h1-9H,(H,28,29)
InChIKeyUSGIDHGEUGRTHP-UHFFFAOYSA-N
MW464.33 g/mol
LogP6.58
Rot. Bonds3

About 5-[4-phenyl-5-(trifluoromethyl)furan-2-yl]-3-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]-1,2,4-oxadiazole

5-[4-phenyl-5-(trifluoromethyl)furan-2-yl]-3-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]-1,2,4-oxadiazole (PubChem CID 59145482) has the molecular formula C21H10F6N4O2 and a molecular weight of 464.33 g/mol. Its IUPAC name is 5-[4-phenyl-5-(trifluoromethyl)furan-2-yl]-3-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[4-phenyl-5-(trifluoromethyl)furan-2-yl]-3-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]-1,2,4-oxadiazole
PubChem CID59145482
Molecular FormulaC21H10F6N4O2
Molecular Weight464.33 g/mol
Exact Mass464.07
IUPAC Name5-[4-phenyl-5-(trifluoromethyl)furan-2-yl]-3-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]-1,2,4-oxadiazole
SMILESFC(F)(F)c1nc2ccc(-c3noc(-c4cc(-c5ccccc5)c(C(F)(F)F)o4)n3)cc2[nH]1
InChIInChI=1S/C21H10F6N4O2/c22-20(23,24)16-12(10-4-2-1-3-5-10)9-15(32-16)18-30-17(31-33-18)11-6-7-13-14(8-11)29-19(28-13)21(25,26)27/h1-9H,(H,28,29)
InChIKeyUSGIDHGEUGRTHP-UHFFFAOYSA-N
XLogP6.58
TPSA80.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.33
LogP ≤ 56.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[4-phenyl-5-(trifluoromethyl)furan-2-yl]-3-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]-1,2,4-oxadiazole?
The IUPAC name of 5-[4-phenyl-5-(trifluoromethyl)furan-2-yl]-3-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]-1,2,4-oxadiazole (CID 59145482) is 5-[4-phenyl-5-(trifluoromethyl)furan-2-yl]-3-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-[4-phenyl-5-(trifluoromethyl)furan-2-yl]-3-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]-1,2,4-oxadiazole?
The canonical SMILES for 5-[4-phenyl-5-(trifluoromethyl)furan-2-yl]-3-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]-1,2,4-oxadiazole is FC(F)(F)c1nc2ccc(-c3noc(-c4cc(-c5ccccc5)c(C(F)(F)F)o4)n3)cc2[nH]1.
What is the InChIKey of 5-[4-phenyl-5-(trifluoromethyl)furan-2-yl]-3-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]-1,2,4-oxadiazole?
The InChIKey is USGIDHGEUGRTHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H10F6N4O2/c22-20(23,24)16-12(10-4-2-1-3-5-10)9-15(32-16)18-30-17(31-33-18)11-6-7-13-14(8-11)29-19(28-13)21(25,26)27/h1-9H,(H,28,29).
What are the key properties of 5-[4-phenyl-5-(trifluoromethyl)furan-2-yl]-3-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]-1,2,4-oxadiazole?
5-[4-phenyl-5-(trifluoromethyl)furan-2-yl]-3-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]-1,2,4-oxadiazole has a molecular weight of 464.33 g/mol, XLogP of 6.58, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-phenyl-5-(trifluoromethyl)furan-2-yl]-3-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 59145482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).