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

C12H11NO5 — CID 16792916

IUPAC5-(2,4-dimethoxyphenyl)-1,2-oxazole-3-carboxylic acid
SMILESCOc1ccc(-c2cc(C(=O)O)no2)c(OC)c1
InChIInChI=1S/C12H11NO5/c1-16-7-3-4-8(10(5-7)17-2)11-6-9(12(14)15)13-18-11/h3-6H,1-2H3,(H,14,15)
InChIKeyGOSONXHPINOGHN-UHFFFAOYSA-N
MW249.22 g/mol
LogP2.06
Rot. Bonds4

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

5-(2,4-dimethoxyphenyl)-1,2-oxazole-3-carboxylic acid (PubChem CID 16792916) has the molecular formula C12H11NO5 and a molecular weight of 249.22 g/mol. Its IUPAC name is 5-(2,4-dimethoxyphenyl)-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(2,4-dimethoxyphenyl)-1,2-oxazole-3-carboxylic acid
PubChem CID16792916
Molecular FormulaC12H11NO5
Molecular Weight249.22 g/mol
Exact Mass249.06
IUPAC Name5-(2,4-dimethoxyphenyl)-1,2-oxazole-3-carboxylic acid
SMILESCOc1ccc(-c2cc(C(=O)O)no2)c(OC)c1
InChIInChI=1S/C12H11NO5/c1-16-7-3-4-8(10(5-7)17-2)11-6-9(12(14)15)13-18-11/h3-6H,1-2H3,(H,14,15)
InChIKeyGOSONXHPINOGHN-UHFFFAOYSA-N
XLogP2.06
TPSA81.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.22
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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
3,5-bis(2,4-dimethoxyphenyl)-1,2-oxazole
CID 19586357
5-(4-bromo-2-hydroxy-5-methoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 136928752
5-(4,5-dimethoxy-2-propan-2-ylphenyl)-1,2-oxazole-3-carboxylic acid
CID 117470400
5-(2,4-dimethoxyphenyl)-1,3-oxazole-2-carboxylic acid
CID 82049476
5-(5-tert-butyl-2-methoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 93189808
5-(7-methoxy-1-benzothiophen-4-yl)-1,2-oxazole-3-carboxylic acid
CID 117439956
5-(5-ethoxy-2,4-dimethoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 117473181
5-(7-methoxy-1-methylindol-4-yl)-1,2-oxazole-3-carboxylic acid
CID 117433252
5-[2-methoxy-5-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxylic acid
CID 82631175
5-(3-methoxy-2-propan-2-ylphenyl)-1,2-oxazole-3-carboxylic acid
CID 117406877

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dimethoxyphenyl)-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-(2,4-dimethoxyphenyl)-1,2-oxazole-3-carboxylic acid (CID 16792916) is 5-(2,4-dimethoxyphenyl)-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-(2,4-dimethoxyphenyl)-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-(2,4-dimethoxyphenyl)-1,2-oxazole-3-carboxylic acid is COc1ccc(-c2cc(C(=O)O)no2)c(OC)c1.
What is the InChIKey of 5-(2,4-dimethoxyphenyl)-1,2-oxazole-3-carboxylic acid?
The InChIKey is GOSONXHPINOGHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO5/c1-16-7-3-4-8(10(5-7)17-2)11-6-9(12(14)15)13-18-11/h3-6H,1-2H3,(H,14,15).
What are the key properties of 5-(2,4-dimethoxyphenyl)-1,2-oxazole-3-carboxylic acid?
5-(2,4-dimethoxyphenyl)-1,2-oxazole-3-carboxylic acid has a molecular weight of 249.22 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dimethoxyphenyl)-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 16792916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).