5-(2-ethoxy-6-methoxyphenyl)-1,2-oxazole-3-carboxylic acid

C13H13NO5 — CID 117411996

IUPAC5-(2-ethoxy-6-methoxyphenyl)-1,2-oxazole-3-carboxylic acid
SMILESCCOc1cccc(OC)c1-c1cc(C(=O)O)no1
InChIInChI=1S/C13H13NO5/c1-3-18-10-6-4-5-9(17-2)12(10)11-7-8(13(15)16)14-19-11/h4-7H,3H2,1-2H3,(H,15,16)
InChIKeyLHZVWAOGVJSXOJ-UHFFFAOYSA-N
MW263.25 g/mol
LogP2.45
Rot. Bonds5

About 5-(2-ethoxy-6-methoxyphenyl)-1,2-oxazole-3-carboxylic acid

5-(2-ethoxy-6-methoxyphenyl)-1,2-oxazole-3-carboxylic acid (PubChem CID 117411996) has the molecular formula C13H13NO5 and a molecular weight of 263.25 g/mol. Its IUPAC name is 5-(2-ethoxy-6-methoxyphenyl)-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(2-ethoxy-6-methoxyphenyl)-1,2-oxazole-3-carboxylic acid
PubChem CID117411996
Molecular FormulaC13H13NO5
Molecular Weight263.25 g/mol
Exact Mass263.08
IUPAC Name5-(2-ethoxy-6-methoxyphenyl)-1,2-oxazole-3-carboxylic acid
SMILESCCOc1cccc(OC)c1-c1cc(C(=O)O)no1
InChIInChI=1S/C13H13NO5/c1-3-18-10-6-4-5-9(17-2)12(10)11-7-8(13(15)16)14-19-11/h4-7H,3H2,1-2H3,(H,15,16)
InChIKeyLHZVWAOGVJSXOJ-UHFFFAOYSA-N
XLogP2.45
TPSA81.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.25
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-ethoxy-6-methoxyphenyl)-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-(2-ethoxy-6-methoxyphenyl)-1,2-oxazole-3-carboxylic acid (CID 117411996) is 5-(2-ethoxy-6-methoxyphenyl)-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-(2-ethoxy-6-methoxyphenyl)-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-(2-ethoxy-6-methoxyphenyl)-1,2-oxazole-3-carboxylic acid is CCOc1cccc(OC)c1-c1cc(C(=O)O)no1.
What is the InChIKey of 5-(2-ethoxy-6-methoxyphenyl)-1,2-oxazole-3-carboxylic acid?
The InChIKey is LHZVWAOGVJSXOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO5/c1-3-18-10-6-4-5-9(17-2)12(10)11-7-8(13(15)16)14-19-11/h4-7H,3H2,1-2H3,(H,15,16).
What are the key properties of 5-(2-ethoxy-6-methoxyphenyl)-1,2-oxazole-3-carboxylic acid?
5-(2-ethoxy-6-methoxyphenyl)-1,2-oxazole-3-carboxylic acid has a molecular weight of 263.25 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethoxy-6-methoxyphenyl)-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 117411996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).