5-(2-methoxy-2-oxoethyl)-3-(4-methoxyphenyl)-2H-1,2-oxazole-5-carboxylic acid

C14H15NO6 — CID 57035545

IUPAC5-(2-methoxy-2-oxoethyl)-3-(4-methoxyphenyl)-2H-1,2-oxazole-5-carboxylic acid
SMILESCOC(=O)CC1(C(=O)O)C=C(c2ccc(OC)cc2)NO1
InChIInChI=1S/C14H15NO6/c1-19-10-5-3-9(4-6-10)11-7-14(13(17)18,21-15-11)8-12(16)20-2/h3-7,15H,8H2,1-2H3,(H,17,18)
InChIKeyQANRFUAZEQBTNR-UHFFFAOYSA-N
MW293.28 g/mol
LogP0.96
Rot. Bonds5

About 5-(2-methoxy-2-oxoethyl)-3-(4-methoxyphenyl)-2H-1,2-oxazole-5-carboxylic acid

5-(2-methoxy-2-oxoethyl)-3-(4-methoxyphenyl)-2H-1,2-oxazole-5-carboxylic acid (PubChem CID 57035545) has the molecular formula C14H15NO6 and a molecular weight of 293.28 g/mol. Its IUPAC name is 5-(2-methoxy-2-oxoethyl)-3-(4-methoxyphenyl)-2H-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name5-(2-methoxy-2-oxoethyl)-3-(4-methoxyphenyl)-2H-1,2-oxazole-5-carboxylic acid
PubChem CID57035545
Molecular FormulaC14H15NO6
Molecular Weight293.28 g/mol
Exact Mass293.09
IUPAC Name5-(2-methoxy-2-oxoethyl)-3-(4-methoxyphenyl)-2H-1,2-oxazole-5-carboxylic acid
SMILESCOC(=O)CC1(C(=O)O)C=C(c2ccc(OC)cc2)NO1
InChIInChI=1S/C14H15NO6/c1-19-10-5-3-9(4-6-10)11-7-14(13(17)18,21-15-11)8-12(16)20-2/h3-7,15H,8H2,1-2H3,(H,17,18)
InChIKeyQANRFUAZEQBTNR-UHFFFAOYSA-N
XLogP0.96
TPSA94.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.28
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-(2-methoxy-2-oxoethyl)-3-(4-methoxyphenyl)-2H-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

Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxy-2-oxoethyl)-3-(4-methoxyphenyl)-2H-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 5-(2-methoxy-2-oxoethyl)-3-(4-methoxyphenyl)-2H-1,2-oxazole-5-carboxylic acid (CID 57035545) is 5-(2-methoxy-2-oxoethyl)-3-(4-methoxyphenyl)-2H-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 5-(2-methoxy-2-oxoethyl)-3-(4-methoxyphenyl)-2H-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 5-(2-methoxy-2-oxoethyl)-3-(4-methoxyphenyl)-2H-1,2-oxazole-5-carboxylic acid is COC(=O)CC1(C(=O)O)C=C(c2ccc(OC)cc2)NO1.
What is the InChIKey of 5-(2-methoxy-2-oxoethyl)-3-(4-methoxyphenyl)-2H-1,2-oxazole-5-carboxylic acid?
The InChIKey is QANRFUAZEQBTNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO6/c1-19-10-5-3-9(4-6-10)11-7-14(13(17)18,21-15-11)8-12(16)20-2/h3-7,15H,8H2,1-2H3,(H,17,18).
What are the key properties of 5-(2-methoxy-2-oxoethyl)-3-(4-methoxyphenyl)-2H-1,2-oxazole-5-carboxylic acid?
5-(2-methoxy-2-oxoethyl)-3-(4-methoxyphenyl)-2H-1,2-oxazole-5-carboxylic acid has a molecular weight of 293.28 g/mol, XLogP of 0.96, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxy-2-oxoethyl)-3-(4-methoxyphenyl)-2H-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 57035545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).