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

C10H13F3N2O3 — CID 82008477

IUPAC2-ethyl-2-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]butanoic acid
SMILESCCC(CC)(Cc1nc(C(F)(F)F)no1)C(=O)O
InChIInChI=1S/C10H13F3N2O3/c1-3-9(4-2,8(16)17)5-6-14-7(15-18-6)10(11,12)13/h3-5H2,1-2H3,(H,16,17)
InChIKeyCUUGRENDFBCFDX-UHFFFAOYSA-N
MW266.22 g/mol
LogP2.52
Rot. Bonds5

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

2-ethyl-2-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]butanoic acid (PubChem CID 82008477) has the molecular formula C10H13F3N2O3 and a molecular weight of 266.22 g/mol. Its IUPAC name is 2-ethyl-2-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]butanoic acid.

Molecular Properties

Compound Name2-ethyl-2-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]butanoic acid
PubChem CID82008477
Molecular FormulaC10H13F3N2O3
Molecular Weight266.22 g/mol
Exact Mass266.09
IUPAC Name2-ethyl-2-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]butanoic acid
SMILESCCC(CC)(Cc1nc(C(F)(F)F)no1)C(=O)O
InChIInChI=1S/C10H13F3N2O3/c1-3-9(4-2,8(16)17)5-6-14-7(15-18-6)10(11,12)13/h3-5H2,1-2H3,(H,16,17)
InChIKeyCUUGRENDFBCFDX-UHFFFAOYSA-N
XLogP2.52
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.22
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]butanoic acid?
The IUPAC name of 2-ethyl-2-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]butanoic acid (CID 82008477) is 2-ethyl-2-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]butanoic acid.
What is the SMILES notation for 2-ethyl-2-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]butanoic acid?
The canonical SMILES for 2-ethyl-2-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]butanoic acid is CCC(CC)(Cc1nc(C(F)(F)F)no1)C(=O)O.
What is the InChIKey of 2-ethyl-2-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]butanoic acid?
The InChIKey is CUUGRENDFBCFDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O3/c1-3-9(4-2,8(16)17)5-6-14-7(15-18-6)10(11,12)13/h3-5H2,1-2H3,(H,16,17).
What are the key properties of 2-ethyl-2-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]butanoic acid?
2-ethyl-2-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]butanoic acid has a molecular weight of 266.22 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]butanoic acid is sourced from PubChem (CID 82008477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).