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

C14H15NO6 — CID 117473181

IUPAC5-(5-ethoxy-2,4-dimethoxyphenyl)-1,2-oxazole-3-carboxylic acid
SMILESCCOc1cc(-c2cc(C(=O)O)no2)c(OC)cc1OC
InChIInChI=1S/C14H15NO6/c1-4-20-13-5-8(10(18-2)7-12(13)19-3)11-6-9(14(16)17)15-21-11/h5-7H,4H2,1-3H3,(H,16,17)
InChIKeyXDLPXDJYEMLCFQ-UHFFFAOYSA-N
MW293.28 g/mol
LogP2.46
Rot. Bonds6

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

5-(5-ethoxy-2,4-dimethoxyphenyl)-1,2-oxazole-3-carboxylic acid (PubChem CID 117473181) has the molecular formula C14H15NO6 and a molecular weight of 293.28 g/mol. Its IUPAC name is 5-(5-ethoxy-2,4-dimethoxyphenyl)-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(5-ethoxy-2,4-dimethoxyphenyl)-1,2-oxazole-3-carboxylic acid
PubChem CID117473181
Molecular FormulaC14H15NO6
Molecular Weight293.28 g/mol
Exact Mass293.09
IUPAC Name5-(5-ethoxy-2,4-dimethoxyphenyl)-1,2-oxazole-3-carboxylic acid
SMILESCCOc1cc(-c2cc(C(=O)O)no2)c(OC)cc1OC
InChIInChI=1S/C14H15NO6/c1-4-20-13-5-8(10(18-2)7-12(13)19-3)11-6-9(14(16)17)15-21-11/h5-7H,4H2,1-3H3,(H,16,17)
InChIKeyXDLPXDJYEMLCFQ-UHFFFAOYSA-N
XLogP2.46
TPSA91.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.28
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(5-ethoxy-2-methoxy-4-methylphenyl)-1,2-oxazole-3-carboxylic acid
CID 117443904
5-(4,5-dimethoxy-2-propan-2-ylphenyl)-1,2-oxazole-3-carboxylic acid
CID 117470400
5-(2-ethoxy-6-methoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 117411996
5-[2-(1-fluoroethyl)-4,5-dimethoxyphenyl]-1,2-oxazole-3-carboxylic acid
CID 117475829
5-(2,4-dimethoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 16792916
5-(4-fluoro-2-methoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 117345967
5-(4-chloro-2-methoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 117386909
5-(4-bromo-2-hydroxy-5-methoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 136928752
5-(5-tert-butyl-2-methoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 93189808
5-[2-methoxy-5-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxylic acid
CID 82631175
5-(2-chloro-5-hydroxy-4-methoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 117427083
5-(2-chloro-3-methoxy-5-methylphenyl)-1,2-oxazole-3-carboxylic acid
CID 117422559

Frequently Asked Questions

What is the IUPAC name of 5-(5-ethoxy-2,4-dimethoxyphenyl)-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-(5-ethoxy-2,4-dimethoxyphenyl)-1,2-oxazole-3-carboxylic acid (CID 117473181) is 5-(5-ethoxy-2,4-dimethoxyphenyl)-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-(5-ethoxy-2,4-dimethoxyphenyl)-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-(5-ethoxy-2,4-dimethoxyphenyl)-1,2-oxazole-3-carboxylic acid is CCOc1cc(-c2cc(C(=O)O)no2)c(OC)cc1OC.
What is the InChIKey of 5-(5-ethoxy-2,4-dimethoxyphenyl)-1,2-oxazole-3-carboxylic acid?
The InChIKey is XDLPXDJYEMLCFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO6/c1-4-20-13-5-8(10(18-2)7-12(13)19-3)11-6-9(14(16)17)15-21-11/h5-7H,4H2,1-3H3,(H,16,17).
What are the key properties of 5-(5-ethoxy-2,4-dimethoxyphenyl)-1,2-oxazole-3-carboxylic acid?
5-(5-ethoxy-2,4-dimethoxyphenyl)-1,2-oxazole-3-carboxylic acid has a molecular weight of 293.28 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-ethoxy-2,4-dimethoxyphenyl)-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 117473181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).