3-(2-ethoxy-4-methoxyphenyl)-1,2-oxazole-5-carboxylic acid

C13H13NO5 — CID 117411954

IUPAC3-(2-ethoxy-4-methoxyphenyl)-1,2-oxazole-5-carboxylic acid
SMILESCCOc1cc(OC)ccc1-c1cc(C(=O)O)on1
InChIInChI=1S/C13H13NO5/c1-3-18-11-6-8(17-2)4-5-9(11)10-7-12(13(15)16)19-14-10/h4-7H,3H2,1-2H3,(H,15,16)
InChIKeyVAKJOGBHGYQUMD-UHFFFAOYSA-N
MW263.25 g/mol
LogP2.45
Rot. Bonds5

About 3-(2-ethoxy-4-methoxyphenyl)-1,2-oxazole-5-carboxylic acid

3-(2-ethoxy-4-methoxyphenyl)-1,2-oxazole-5-carboxylic acid (PubChem CID 117411954) has the molecular formula C13H13NO5 and a molecular weight of 263.25 g/mol. Its IUPAC name is 3-(2-ethoxy-4-methoxyphenyl)-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(2-ethoxy-4-methoxyphenyl)-1,2-oxazole-5-carboxylic acid
PubChem CID117411954
Molecular FormulaC13H13NO5
Molecular Weight263.25 g/mol
Exact Mass263.08
IUPAC Name3-(2-ethoxy-4-methoxyphenyl)-1,2-oxazole-5-carboxylic acid
SMILESCCOc1cc(OC)ccc1-c1cc(C(=O)O)on1
InChIInChI=1S/C13H13NO5/c1-3-18-11-6-8(17-2)4-5-9(11)10-7-12(13(15)16)19-14-10/h4-7H,3H2,1-2H3,(H,15,16)
InChIKeyVAKJOGBHGYQUMD-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 3-(2-ethoxy-4-methoxyphenyl)-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 3-(2-ethoxy-4-methoxyphenyl)-1,2-oxazole-5-carboxylic acid (CID 117411954) is 3-(2-ethoxy-4-methoxyphenyl)-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 3-(2-ethoxy-4-methoxyphenyl)-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 3-(2-ethoxy-4-methoxyphenyl)-1,2-oxazole-5-carboxylic acid is CCOc1cc(OC)ccc1-c1cc(C(=O)O)on1.
What is the InChIKey of 3-(2-ethoxy-4-methoxyphenyl)-1,2-oxazole-5-carboxylic acid?
The InChIKey is VAKJOGBHGYQUMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO5/c1-3-18-11-6-8(17-2)4-5-9(11)10-7-12(13(15)16)19-14-10/h4-7H,3H2,1-2H3,(H,15,16).
What are the key properties of 3-(2-ethoxy-4-methoxyphenyl)-1,2-oxazole-5-carboxylic acid?
3-(2-ethoxy-4-methoxyphenyl)-1,2-oxazole-5-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 3-(2-ethoxy-4-methoxyphenyl)-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 117411954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).