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

C12H11NO5 — CID 82049476

IUPAC5-(2,4-dimethoxyphenyl)-1,3-oxazole-2-carboxylic acid
SMILESCOc1ccc(-c2cnc(C(=O)O)o2)c(OC)c1
InChIInChI=1S/C12H11NO5/c1-16-7-3-4-8(9(5-7)17-2)10-6-13-11(18-10)12(14)15/h3-6H,1-2H3,(H,14,15)
InChIKeyFPJUZBARLVXBSZ-UHFFFAOYSA-N
MW249.22 g/mol
LogP2.06
Rot. Bonds4

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

5-(2,4-dimethoxyphenyl)-1,3-oxazole-2-carboxylic acid (PubChem CID 82049476) has the molecular formula C12H11NO5 and a molecular weight of 249.22 g/mol. Its IUPAC name is 5-(2,4-dimethoxyphenyl)-1,3-oxazole-2-carboxylic acid.

Molecular Properties

Compound Name5-(2,4-dimethoxyphenyl)-1,3-oxazole-2-carboxylic acid
PubChem CID82049476
Molecular FormulaC12H11NO5
Molecular Weight249.22 g/mol
Exact Mass249.06
IUPAC Name5-(2,4-dimethoxyphenyl)-1,3-oxazole-2-carboxylic acid
SMILESCOc1ccc(-c2cnc(C(=O)O)o2)c(OC)c1
InChIInChI=1S/C12H11NO5/c1-16-7-3-4-8(9(5-7)17-2)10-6-13-11(18-10)12(14)15/h3-6H,1-2H3,(H,14,15)
InChIKeyFPJUZBARLVXBSZ-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-(2,4-dimethoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 16792916
5-(4-methoxy-2,6-dimethylphenyl)-1,3-oxazole-2-carboxylic acid
CID 82049390
2-[5-(2,4-dimethoxyphenyl)-1,3-oxazol-2-yl]-N-phenylbenzamide
CID 100506960
5-(2,4-dimethoxyphenyl)-1-methylpyrazole-4-carboxylic acid
CID 82302598
5-(4-methoxy-3-propan-2-ylphenyl)-1,3-oxazole-2-carboxylic acid
CID 82049724
N-benzhydryl-2-[5-(2,4-dimethoxyphenyl)-1,3-oxazol-2-yl]benzamide
CID 100508470
2-chloro-5-(2,4-dimethoxyphenyl)pyridine-4-carboxylic acid
CID 53223746
5-(2,4-dimethoxyphenyl)pyridine-3-carboxylic acid
CID 24729791
1-[5-(2,4-dimethoxyphenyl)-1,3-oxazol-2-yl]-N-ethylethanamine
CID 65181194
2-[5-(2,4-dimethoxyphenyl)-1,3-oxazol-2-yl]-N-(3-methoxyphenyl)benzamide
CID 100507572
[2-[5-(2,4-dimethoxyphenyl)-1,3-oxazol-2-yl]phenyl]-(4-ethylpiperazin-1-yl)methanone
CID 100508247
2-[5-(2,4-dimethoxyphenyl)-1,3-oxazol-2-yl]-N-(2,4,6-trimethylphenyl)benzamide
CID 100508304

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dimethoxyphenyl)-1,3-oxazole-2-carboxylic acid?
The IUPAC name of 5-(2,4-dimethoxyphenyl)-1,3-oxazole-2-carboxylic acid (CID 82049476) is 5-(2,4-dimethoxyphenyl)-1,3-oxazole-2-carboxylic acid.
What is the SMILES notation for 5-(2,4-dimethoxyphenyl)-1,3-oxazole-2-carboxylic acid?
The canonical SMILES for 5-(2,4-dimethoxyphenyl)-1,3-oxazole-2-carboxylic acid is COc1ccc(-c2cnc(C(=O)O)o2)c(OC)c1.
What is the InChIKey of 5-(2,4-dimethoxyphenyl)-1,3-oxazole-2-carboxylic acid?
The InChIKey is FPJUZBARLVXBSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO5/c1-16-7-3-4-8(9(5-7)17-2)10-6-13-11(18-10)12(14)15/h3-6H,1-2H3,(H,14,15).
What are the key properties of 5-(2,4-dimethoxyphenyl)-1,3-oxazole-2-carboxylic acid?
5-(2,4-dimethoxyphenyl)-1,3-oxazole-2-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)-1,3-oxazole-2-carboxylic acid is sourced from PubChem (CID 82049476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).