3-(triazol-1-ylmethyl)-5-[2-(trifluoromethyl)furan-3-yl]-1,2,4-oxadiazole

C10H6F3N5O2 — CID 167894692

IUPAC3-(triazol-1-ylmethyl)-5-[2-(trifluoromethyl)furan-3-yl]-1,2,4-oxadiazole
SMILESFC(F)(F)c1occc1-c1nc(Cn2ccnn2)no1
InChIInChI=1S/C10H6F3N5O2/c11-10(12,13)8-6(1-4-19-8)9-15-7(16-20-9)5-18-3-2-14-17-18/h1-4H,5H2
InChIKeyFRYOYGOIWAFLIZ-UHFFFAOYSA-N
MW285.19 g/mol
LogP1.99
Rot. Bonds3

About 3-(triazol-1-ylmethyl)-5-[2-(trifluoromethyl)furan-3-yl]-1,2,4-oxadiazole

3-(triazol-1-ylmethyl)-5-[2-(trifluoromethyl)furan-3-yl]-1,2,4-oxadiazole (PubChem CID 167894692) has the molecular formula C10H6F3N5O2 and a molecular weight of 285.19 g/mol. Its IUPAC name is 3-(triazol-1-ylmethyl)-5-[2-(trifluoromethyl)furan-3-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(triazol-1-ylmethyl)-5-[2-(trifluoromethyl)furan-3-yl]-1,2,4-oxadiazole
PubChem CID167894692
Molecular FormulaC10H6F3N5O2
Molecular Weight285.19 g/mol
Exact Mass285.05
IUPAC Name3-(triazol-1-ylmethyl)-5-[2-(trifluoromethyl)furan-3-yl]-1,2,4-oxadiazole
SMILESFC(F)(F)c1occc1-c1nc(Cn2ccnn2)no1
InChIInChI=1S/C10H6F3N5O2/c11-10(12,13)8-6(1-4-19-8)9-15-7(16-20-9)5-18-3-2-14-17-18/h1-4H,5H2
InChIKeyFRYOYGOIWAFLIZ-UHFFFAOYSA-N
XLogP1.99
TPSA82.77 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.19
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(triazol-1-ylmethyl)-5-[2-(trifluoromethyl)furan-3-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-(triazol-1-ylmethyl)-5-[2-(trifluoromethyl)furan-3-yl]-1,2,4-oxadiazole (CID 167894692) is 3-(triazol-1-ylmethyl)-5-[2-(trifluoromethyl)furan-3-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(triazol-1-ylmethyl)-5-[2-(trifluoromethyl)furan-3-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(triazol-1-ylmethyl)-5-[2-(trifluoromethyl)furan-3-yl]-1,2,4-oxadiazole is FC(F)(F)c1occc1-c1nc(Cn2ccnn2)no1.
What is the InChIKey of 3-(triazol-1-ylmethyl)-5-[2-(trifluoromethyl)furan-3-yl]-1,2,4-oxadiazole?
The InChIKey is FRYOYGOIWAFLIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F3N5O2/c11-10(12,13)8-6(1-4-19-8)9-15-7(16-20-9)5-18-3-2-14-17-18/h1-4H,5H2.
What are the key properties of 3-(triazol-1-ylmethyl)-5-[2-(trifluoromethyl)furan-3-yl]-1,2,4-oxadiazole?
3-(triazol-1-ylmethyl)-5-[2-(trifluoromethyl)furan-3-yl]-1,2,4-oxadiazole has a molecular weight of 285.19 g/mol, XLogP of 1.99, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(triazol-1-ylmethyl)-5-[2-(trifluoromethyl)furan-3-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 167894692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).