3-(2-ethoxy-2-oxoethoxy)-1,2-oxazole-5-carboxylic acid

C8H9NO6 — CID 58846560

IUPAC3-(2-ethoxy-2-oxoethoxy)-1,2-oxazole-5-carboxylic acid
SMILESCCOC(=O)COc1cc(C(=O)O)on1
InChIInChI=1S/C8H9NO6/c1-2-13-7(10)4-14-6-3-5(8(11)12)15-9-6/h3H,2,4H2,1H3,(H,11,12)
InChIKeyKAWQGTMREXBNIB-UHFFFAOYSA-N
MW215.16 g/mol
LogP0.31
Rot. Bonds5

About 3-(2-ethoxy-2-oxoethoxy)-1,2-oxazole-5-carboxylic acid

3-(2-ethoxy-2-oxoethoxy)-1,2-oxazole-5-carboxylic acid (PubChem CID 58846560) has the molecular formula C8H9NO6 and a molecular weight of 215.16 g/mol. Its IUPAC name is 3-(2-ethoxy-2-oxoethoxy)-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(2-ethoxy-2-oxoethoxy)-1,2-oxazole-5-carboxylic acid
PubChem CID58846560
Molecular FormulaC8H9NO6
Molecular Weight215.16 g/mol
Exact Mass215.04
IUPAC Name3-(2-ethoxy-2-oxoethoxy)-1,2-oxazole-5-carboxylic acid
SMILESCCOC(=O)COc1cc(C(=O)O)on1
InChIInChI=1S/C8H9NO6/c1-2-13-7(10)4-14-6-3-5(8(11)12)15-9-6/h3H,2,4H2,1H3,(H,11,12)
InChIKeyKAWQGTMREXBNIB-UHFFFAOYSA-N
XLogP0.31
TPSA98.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.16
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(2-ethoxy-2-oxoethoxy)-1,2-oxazole-5-carboxylic acid with MolForge

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

Launch Full Analysis

Related Compounds

2-[(5-carbonochloridoyl-1,2-oxazol-3-yl)oxy]acetic acid
CID 87623873
ethyl 2-[3,5-bis(2-ethoxy-2-oxoethoxy)phenoxy]acetate
CID 71361550
ethyl 2-[(4-propyl-2-pyridinyl)oxy]acetate
CID 143887613
2-(2-ethoxy-2-oxoethoxy)quinoline-6-carboxylic acid
CID 168935322
ethyl 2-(4-amino-2,6-dimethylphenoxy)acetate
CID 5305638
ethyl 2-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)oxyacetate
CID 4089312
ethyl 2-pyrazolo[1,5-a]pyridin-2-yloxyacetate
CID 22402125
3,5-dibromo-4-(2-ethoxy-2-oxoethoxy)benzoic acid
CID 103694206
ethyl 2-[[5-[(2S,4R)-4-(N-acetyl-4-chloroanilino)-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl]-1,2-oxazol-3-yl]oxy]acetate
CID 86601698
ethyl 2-(3,4,5-trimethylphenoxy)acetate
CID 141147627
2-amino-5-(2-ethoxy-2-oxoethoxy)benzoic acid
CID 107077178
methyl 5-(2-ethoxy-2-oxoethoxy)-1-methylpyrazole-3-carboxylate
CID 11333961

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxy-2-oxoethoxy)-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 3-(2-ethoxy-2-oxoethoxy)-1,2-oxazole-5-carboxylic acid (CID 58846560) is 3-(2-ethoxy-2-oxoethoxy)-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 3-(2-ethoxy-2-oxoethoxy)-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 3-(2-ethoxy-2-oxoethoxy)-1,2-oxazole-5-carboxylic acid is CCOC(=O)COc1cc(C(=O)O)on1.
What is the InChIKey of 3-(2-ethoxy-2-oxoethoxy)-1,2-oxazole-5-carboxylic acid?
The InChIKey is KAWQGTMREXBNIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO6/c1-2-13-7(10)4-14-6-3-5(8(11)12)15-9-6/h3H,2,4H2,1H3,(H,11,12).
What are the key properties of 3-(2-ethoxy-2-oxoethoxy)-1,2-oxazole-5-carboxylic acid?
3-(2-ethoxy-2-oxoethoxy)-1,2-oxazole-5-carboxylic acid has a molecular weight of 215.16 g/mol, XLogP of 0.31, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxy-2-oxoethoxy)-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 58846560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).