fluoro 3-(2-hydroxypropan-2-yl)-1,2,4-oxadiazole-5-carboxylate

C6H7FN2O4 — CID 169164116

IUPACfluoro 3-(2-hydroxypropan-2-yl)-1,2,4-oxadiazole-5-carboxylate
SMILESCC(C)(O)c1noc(C(=O)OF)n1
InChIInChI=1S/C6H7FN2O4/c1-6(2,11)5-8-3(13-9-5)4(10)12-7/h11H,1-2H3
InChIKeyJRGFSBFEHLWXLP-UHFFFAOYSA-N
MW190.13 g/mol
LogP0.34
Rot. Bonds2

About fluoro 3-(2-hydroxypropan-2-yl)-1,2,4-oxadiazole-5-carboxylate

fluoro 3-(2-hydroxypropan-2-yl)-1,2,4-oxadiazole-5-carboxylate (PubChem CID 169164116) has the molecular formula C6H7FN2O4 and a molecular weight of 190.13 g/mol. Its IUPAC name is fluoro 3-(2-hydroxypropan-2-yl)-1,2,4-oxadiazole-5-carboxylate.

Molecular Properties

Compound Namefluoro 3-(2-hydroxypropan-2-yl)-1,2,4-oxadiazole-5-carboxylate
PubChem CID169164116
Molecular FormulaC6H7FN2O4
Molecular Weight190.13 g/mol
Exact Mass190.04
IUPAC Namefluoro 3-(2-hydroxypropan-2-yl)-1,2,4-oxadiazole-5-carboxylate
SMILESCC(C)(O)c1noc(C(=O)OF)n1
InChIInChI=1S/C6H7FN2O4/c1-6(2,11)5-8-3(13-9-5)4(10)12-7/h11H,1-2H3
InChIKeyJRGFSBFEHLWXLP-UHFFFAOYSA-N
XLogP0.34
TPSA85.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.13
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze fluoro 3-(2-hydroxypropan-2-yl)-1,2,4-oxadiazole-5-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of fluoro 3-(2-hydroxypropan-2-yl)-1,2,4-oxadiazole-5-carboxylate?
The IUPAC name of fluoro 3-(2-hydroxypropan-2-yl)-1,2,4-oxadiazole-5-carboxylate (CID 169164116) is fluoro 3-(2-hydroxypropan-2-yl)-1,2,4-oxadiazole-5-carboxylate.
What is the SMILES notation for fluoro 3-(2-hydroxypropan-2-yl)-1,2,4-oxadiazole-5-carboxylate?
The canonical SMILES for fluoro 3-(2-hydroxypropan-2-yl)-1,2,4-oxadiazole-5-carboxylate is CC(C)(O)c1noc(C(=O)OF)n1.
What is the InChIKey of fluoro 3-(2-hydroxypropan-2-yl)-1,2,4-oxadiazole-5-carboxylate?
The InChIKey is JRGFSBFEHLWXLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7FN2O4/c1-6(2,11)5-8-3(13-9-5)4(10)12-7/h11H,1-2H3.
What are the key properties of fluoro 3-(2-hydroxypropan-2-yl)-1,2,4-oxadiazole-5-carboxylate?
fluoro 3-(2-hydroxypropan-2-yl)-1,2,4-oxadiazole-5-carboxylate has a molecular weight of 190.13 g/mol, XLogP of 0.34, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro 3-(2-hydroxypropan-2-yl)-1,2,4-oxadiazole-5-carboxylate is sourced from PubChem (CID 169164116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).