2-ethoxy-1,3-oxazole-4-carboxylic acid

C6H7NO4 — CID 45082222

IUPAC2-ethoxy-1,3-oxazole-4-carboxylic acid
SMILESCCOc1nc(C(=O)O)co1
InChIInChI=1S/C6H7NO4/c1-2-10-6-7-4(3-11-6)5(8)9/h3H,2H2,1H3,(H,8,9)
InChIKeyOQWCITRELJZQJS-UHFFFAOYSA-N
MW157.12 g/mol
LogP0.77
Rot. Bonds3

About 2-ethoxy-1,3-oxazole-4-carboxylic acid

2-ethoxy-1,3-oxazole-4-carboxylic acid (PubChem CID 45082222) has the molecular formula C6H7NO4 and a molecular weight of 157.12 g/mol. Its IUPAC name is 2-ethoxy-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name2-ethoxy-1,3-oxazole-4-carboxylic acid
PubChem CID45082222
Molecular FormulaC6H7NO4
Molecular Weight157.12 g/mol
Exact Mass157.04
IUPAC Name2-ethoxy-1,3-oxazole-4-carboxylic acid
SMILESCCOc1nc(C(=O)O)co1
InChIInChI=1S/C6H7NO4/c1-2-10-6-7-4(3-11-6)5(8)9/h3H,2H2,1H3,(H,8,9)
InChIKeyOQWCITRELJZQJS-UHFFFAOYSA-N
XLogP0.77
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.12
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 2-ethoxy-1,3-oxazole-4-carboxylic acid (CID 45082222) is 2-ethoxy-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 2-ethoxy-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 2-ethoxy-1,3-oxazole-4-carboxylic acid is CCOc1nc(C(=O)O)co1.
What is the InChIKey of 2-ethoxy-1,3-oxazole-4-carboxylic acid?
The InChIKey is OQWCITRELJZQJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO4/c1-2-10-6-7-4(3-11-6)5(8)9/h3H,2H2,1H3,(H,8,9).
What are the key properties of 2-ethoxy-1,3-oxazole-4-carboxylic acid?
2-ethoxy-1,3-oxazole-4-carboxylic acid has a molecular weight of 157.12 g/mol, XLogP of 0.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 45082222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).