[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methanol

C5H5F3N2O2 — CID 63757782

IUPAC[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methanol
SMILESOCc1nc(CC(F)(F)F)no1
InChIInChI=1S/C5H5F3N2O2/c6-5(7,8)1-3-9-4(2-11)12-10-3/h11H,1-2H2
InChIKeyAGSUYIHPIVQTKB-UHFFFAOYSA-N
MW182.10 g/mol
LogP0.67
Rot. Bonds2

About [3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methanol

[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methanol (PubChem CID 63757782) has the molecular formula C5H5F3N2O2 and a molecular weight of 182.10 g/mol. Its IUPAC name is [3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methanol.

Molecular Properties

Compound Name[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methanol
PubChem CID63757782
Molecular FormulaC5H5F3N2O2
Molecular Weight182.10 g/mol
Exact Mass182.03
IUPAC Name[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methanol
SMILESOCc1nc(CC(F)(F)F)no1
InChIInChI=1S/C5H5F3N2O2/c6-5(7,8)1-3-9-4(2-11)12-10-3/h11H,1-2H2
InChIKeyAGSUYIHPIVQTKB-UHFFFAOYSA-N
XLogP0.67
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.10
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methanol?
The IUPAC name of [3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methanol (CID 63757782) is [3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methanol.
What is the SMILES notation for [3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methanol?
The canonical SMILES for [3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methanol is OCc1nc(CC(F)(F)F)no1.
What is the InChIKey of [3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methanol?
The InChIKey is AGSUYIHPIVQTKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F3N2O2/c6-5(7,8)1-3-9-4(2-11)12-10-3/h11H,1-2H2.
What are the key properties of [3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methanol?
[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methanol has a molecular weight of 182.10 g/mol, XLogP of 0.67, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methanol is sourced from PubChem (CID 63757782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).