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

C13H13NO5 — CID 100802087

IUPAC3-(4-ethoxy-3-methoxyphenyl)-1,2-oxazole-4-carboxylic acid
SMILESCCOc1ccc(-c2nocc2C(=O)O)cc1OC
InChIInChI=1S/C13H13NO5/c1-3-18-10-5-4-8(6-11(10)17-2)12-9(13(15)16)7-19-14-12/h4-7H,3H2,1-2H3,(H,15,16)
InChIKeyXWMPYWJIFZYKMZ-UHFFFAOYSA-N
MW263.25 g/mol
LogP2.45
Rot. Bonds5

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

3-(4-ethoxy-3-methoxyphenyl)-1,2-oxazole-4-carboxylic acid (PubChem CID 100802087) has the molecular formula C13H13NO5 and a molecular weight of 263.25 g/mol. Its IUPAC name is 3-(4-ethoxy-3-methoxyphenyl)-1,2-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name3-(4-ethoxy-3-methoxyphenyl)-1,2-oxazole-4-carboxylic acid
PubChem CID100802087
Molecular FormulaC13H13NO5
Molecular Weight263.25 g/mol
Exact Mass263.08
IUPAC Name3-(4-ethoxy-3-methoxyphenyl)-1,2-oxazole-4-carboxylic acid
SMILESCCOc1ccc(-c2nocc2C(=O)O)cc1OC
InChIInChI=1S/C13H13NO5/c1-3-18-10-5-4-8(6-11(10)17-2)12-9(13(15)16)7-19-14-12/h4-7H,3H2,1-2H3,(H,15,16)
InChIKeyXWMPYWJIFZYKMZ-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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Related Compounds

3-(4-methoxy-3-methylphenyl)-1,2-oxazole-4-carboxylic acid
CID 82390150
methyl 3-(4-hydroxy-3-methoxyphenyl)-1,2-oxazole-4-carboxylate
CID 870102
2-[4-[5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-ethoxyphenoxy]acetic acid
CID 23010360
3-(2,4-dimethoxyphenyl)-1,2-oxazole-4-carboxylic acid
CID 82296819
N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]-2-ethoxybenzamide
CID 7711063
2,5-bis(4-ethoxy-3-methoxyphenyl)-3,4-dimethylfuran
CID 11069311
5-(3-ethoxy-4-methoxyphenyl)-2H-triazole-4-carboxamide
CID 169402032
3-[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide
CID 2986039
ethyl 3-phenyl-1,2-oxazole-4-carboxylate
CID 871048
ethyl 5-amino-3-(3,4-dimethoxyphenyl)-1,2-oxazole-4-carboxylate
CID 25219814
4-(3,4-dimethoxyphenyl)-2-(trifluoromethyl)pyrimidine-5-carboxylic acid
CID 142592641
4-(3,4-dimethoxyphenyl)-1,3-thiazole-5-carboxylic acid
CID 82133695

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxy-3-methoxyphenyl)-1,2-oxazole-4-carboxylic acid?
The IUPAC name of 3-(4-ethoxy-3-methoxyphenyl)-1,2-oxazole-4-carboxylic acid (CID 100802087) is 3-(4-ethoxy-3-methoxyphenyl)-1,2-oxazole-4-carboxylic acid.
What is the SMILES notation for 3-(4-ethoxy-3-methoxyphenyl)-1,2-oxazole-4-carboxylic acid?
The canonical SMILES for 3-(4-ethoxy-3-methoxyphenyl)-1,2-oxazole-4-carboxylic acid is CCOc1ccc(-c2nocc2C(=O)O)cc1OC.
What is the InChIKey of 3-(4-ethoxy-3-methoxyphenyl)-1,2-oxazole-4-carboxylic acid?
The InChIKey is XWMPYWJIFZYKMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO5/c1-3-18-10-5-4-8(6-11(10)17-2)12-9(13(15)16)7-19-14-12/h4-7H,3H2,1-2H3,(H,15,16).
What are the key properties of 3-(4-ethoxy-3-methoxyphenyl)-1,2-oxazole-4-carboxylic acid?
3-(4-ethoxy-3-methoxyphenyl)-1,2-oxazole-4-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-(4-ethoxy-3-methoxyphenyl)-1,2-oxazole-4-carboxylic acid is sourced from PubChem (CID 100802087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).