2-ethyl-2-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]butanoic acid

C11H15F3N2O3 — CID 61392836

IUPAC2-ethyl-2-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]butanoic acid
SMILESCCC(CC)(Cc1nc(CC(F)(F)F)no1)C(=O)O
InChIInChI=1S/C11H15F3N2O3/c1-3-10(4-2,9(17)18)6-8-15-7(16-19-8)5-11(12,13)14/h3-6H2,1-2H3,(H,17,18)
InChIKeyKZZIZMDDHRASAO-UHFFFAOYSA-N
MW280.25 g/mol
LogP2.61
Rot. Bonds6

About 2-ethyl-2-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]butanoic acid

2-ethyl-2-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]butanoic acid (PubChem CID 61392836) has the molecular formula C11H15F3N2O3 and a molecular weight of 280.25 g/mol. Its IUPAC name is 2-ethyl-2-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]butanoic acid.

Molecular Properties

Compound Name2-ethyl-2-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]butanoic acid
PubChem CID61392836
Molecular FormulaC11H15F3N2O3
Molecular Weight280.25 g/mol
Exact Mass280.10
IUPAC Name2-ethyl-2-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]butanoic acid
SMILESCCC(CC)(Cc1nc(CC(F)(F)F)no1)C(=O)O
InChIInChI=1S/C11H15F3N2O3/c1-3-10(4-2,9(17)18)6-8-15-7(16-19-8)5-11(12,13)14/h3-6H2,1-2H3,(H,17,18)
InChIKeyKZZIZMDDHRASAO-UHFFFAOYSA-N
XLogP2.61
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.25
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-ethyl-2-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]butanoic acid with MolForge

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Related Compounds

3-(3-Propyl-1,2,4-oxadiazol-5-yl)propanoic acid
CID 16227959
3-(3-(Propan-2-yl)-1,2,4-oxadiazol-5-yl)propanoic acid
CID 25775425
3-(1,1-Dimethylethyl)-1,2,4-oxadiazole-5-propanoic acid
CID 33789418
3-(3-Cyclopentyl-1,2,4-oxadiazol-5-yl)propanoic acid
CID 60922559
1-[[3-(2,2,2-Trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexane-1-carboxylic acid
CID 61392812
1-[[3-(2,2,2-Trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]cycloheptane-1-carboxylic acid
CID 61392822
1-[[3-(2,2,2-Trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentane-1-carboxylic acid
CID 61392823
2,3-Dimethyl-2-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]butanoic acid
CID 61392824
2-[3-(2,2,2-Trifluoroethyl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylic acid
CID 61392838
3-[3-(2,2,2-Trifluoroethyl)-1,2,4-oxadiazol-5-yl]propanoic acid
CID 61392862
3,3-Dimethyl-4-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]butanoic acid
CID 62934903
3-Methyl-4-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]butanoic acid
CID 62942405

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]butanoic acid?
The IUPAC name of 2-ethyl-2-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]butanoic acid (CID 61392836) is 2-ethyl-2-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]butanoic acid.
What is the SMILES notation for 2-ethyl-2-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]butanoic acid?
The canonical SMILES for 2-ethyl-2-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]butanoic acid is CCC(CC)(Cc1nc(CC(F)(F)F)no1)C(=O)O.
What is the InChIKey of 2-ethyl-2-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]butanoic acid?
The InChIKey is KZZIZMDDHRASAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O3/c1-3-10(4-2,9(17)18)6-8-15-7(16-19-8)5-11(12,13)14/h3-6H2,1-2H3,(H,17,18).
What are the key properties of 2-ethyl-2-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]butanoic acid?
2-ethyl-2-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]butanoic acid has a molecular weight of 280.25 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]butanoic acid is sourced from PubChem (CID 61392836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).