5-(2-amino-1,1-difluoroethyl)-1,2,4-oxadiazole-3-carboxylic acid

C5H5F2N3O3 — CID 130600729

IUPAC5-(2-amino-1,1-difluoroethyl)-1,2,4-oxadiazole-3-carboxylic acid
SMILESNCC(F)(F)c1nc(C(=O)O)no1
InChIInChI=1S/C5H5F2N3O3/c6-5(7,1-8)4-9-2(3(11)12)10-13-4/h1,8H2,(H,11,12)
InChIKeyQQQICNKXLRCGJH-UHFFFAOYSA-N
MW193.11 g/mol
LogP-0.18
Rot. Bonds3

About 5-(2-amino-1,1-difluoroethyl)-1,2,4-oxadiazole-3-carboxylic acid

5-(2-amino-1,1-difluoroethyl)-1,2,4-oxadiazole-3-carboxylic acid (PubChem CID 130600729) has the molecular formula C5H5F2N3O3 and a molecular weight of 193.11 g/mol. Its IUPAC name is 5-(2-amino-1,1-difluoroethyl)-1,2,4-oxadiazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(2-amino-1,1-difluoroethyl)-1,2,4-oxadiazole-3-carboxylic acid
PubChem CID130600729
Molecular FormulaC5H5F2N3O3
Molecular Weight193.11 g/mol
Exact Mass193.03
IUPAC Name5-(2-amino-1,1-difluoroethyl)-1,2,4-oxadiazole-3-carboxylic acid
SMILESNCC(F)(F)c1nc(C(=O)O)no1
InChIInChI=1S/C5H5F2N3O3/c6-5(7,1-8)4-9-2(3(11)12)10-13-4/h1,8H2,(H,11,12)
InChIKeyQQQICNKXLRCGJH-UHFFFAOYSA-N
XLogP-0.18
TPSA102.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.11
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(1-amino-2-methylbutan-2-yl)-1,2,4-oxadiazole-3-carboxylic acid
CID 112631791
5-tert-butyl-1,2,4-oxadiazole-3-carboxylic acid
CID 19786334
sodium 5-tert-butyl-1,2,4-oxadiazole-3-carboxylic acid
CID 169410143
potassium;5-tert-butyl-1,2,4-oxadiazole-3-carboxylic acid;hydride
CID 175462514
5-(1-amino-1-cyclopropylethyl)-1,2,4-oxadiazole-3-carboxylic acid
CID 112632024
2,2-difluoro-2-[3-(1-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 130600727
2,2-difluoro-2-[3-(thietan-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 164644588
5-(2-amino-1-hydroxyethyl)-1,2,4-oxadiazole-3-carboxylic acid
CID 112631895
ethyl 5-(1,1,2,2,3,3,3-heptafluoropropyl)-1,2,4-oxadiazole-3-carboxylate
CID 102283407
5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazole-3-carboxylic acid
CID 103211864
5-[3-(2-aminoethyl)-4-methylpentyl]-1,2,4-oxadiazole-3-carboxylic acid
CID 112631943
5-(methylaminomethyl)-1,2,4-oxadiazole-3-carboxylic acid
CID 55252728

Frequently Asked Questions

What is the IUPAC name of 5-(2-amino-1,1-difluoroethyl)-1,2,4-oxadiazole-3-carboxylic acid?
The IUPAC name of 5-(2-amino-1,1-difluoroethyl)-1,2,4-oxadiazole-3-carboxylic acid (CID 130600729) is 5-(2-amino-1,1-difluoroethyl)-1,2,4-oxadiazole-3-carboxylic acid.
What is the SMILES notation for 5-(2-amino-1,1-difluoroethyl)-1,2,4-oxadiazole-3-carboxylic acid?
The canonical SMILES for 5-(2-amino-1,1-difluoroethyl)-1,2,4-oxadiazole-3-carboxylic acid is NCC(F)(F)c1nc(C(=O)O)no1.
What is the InChIKey of 5-(2-amino-1,1-difluoroethyl)-1,2,4-oxadiazole-3-carboxylic acid?
The InChIKey is QQQICNKXLRCGJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F2N3O3/c6-5(7,1-8)4-9-2(3(11)12)10-13-4/h1,8H2,(H,11,12).
What are the key properties of 5-(2-amino-1,1-difluoroethyl)-1,2,4-oxadiazole-3-carboxylic acid?
5-(2-amino-1,1-difluoroethyl)-1,2,4-oxadiazole-3-carboxylic acid has a molecular weight of 193.11 g/mol, XLogP of -0.18, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-amino-1,1-difluoroethyl)-1,2,4-oxadiazole-3-carboxylic acid is sourced from PubChem (CID 130600729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).