3-(3-hydroxy-4-methoxy-5-methylphenyl)-1,2-oxazole-5-carboxylic acid

C12H11NO5 — CID 117375231

IUPAC3-(3-hydroxy-4-methoxy-5-methylphenyl)-1,2-oxazole-5-carboxylic acid
SMILESCOc1c(C)cc(-c2cc(C(=O)O)on2)cc1O
InChIInChI=1S/C12H11NO5/c1-6-3-7(4-9(14)11(6)17-2)8-5-10(12(15)16)18-13-8/h3-5,14H,1-2H3,(H,15,16)
InChIKeyYQTXPJIZLNWHQB-UHFFFAOYSA-N
MW249.22 g/mol
LogP2.06
Rot. Bonds3

About 3-(3-hydroxy-4-methoxy-5-methylphenyl)-1,2-oxazole-5-carboxylic acid

3-(3-hydroxy-4-methoxy-5-methylphenyl)-1,2-oxazole-5-carboxylic acid (PubChem CID 117375231) has the molecular formula C12H11NO5 and a molecular weight of 249.22 g/mol. Its IUPAC name is 3-(3-hydroxy-4-methoxy-5-methylphenyl)-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(3-hydroxy-4-methoxy-5-methylphenyl)-1,2-oxazole-5-carboxylic acid
PubChem CID117375231
Molecular FormulaC12H11NO5
Molecular Weight249.22 g/mol
Exact Mass249.06
IUPAC Name3-(3-hydroxy-4-methoxy-5-methylphenyl)-1,2-oxazole-5-carboxylic acid
SMILESCOc1c(C)cc(-c2cc(C(=O)O)on2)cc1O
InChIInChI=1S/C12H11NO5/c1-6-3-7(4-9(14)11(6)17-2)8-5-10(12(15)16)18-13-8/h3-5,14H,1-2H3,(H,15,16)
InChIKeyYQTXPJIZLNWHQB-UHFFFAOYSA-N
XLogP2.06
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.22
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxy-4-methoxy-5-methylphenyl)-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 3-(3-hydroxy-4-methoxy-5-methylphenyl)-1,2-oxazole-5-carboxylic acid (CID 117375231) is 3-(3-hydroxy-4-methoxy-5-methylphenyl)-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 3-(3-hydroxy-4-methoxy-5-methylphenyl)-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 3-(3-hydroxy-4-methoxy-5-methylphenyl)-1,2-oxazole-5-carboxylic acid is COc1c(C)cc(-c2cc(C(=O)O)on2)cc1O.
What is the InChIKey of 3-(3-hydroxy-4-methoxy-5-methylphenyl)-1,2-oxazole-5-carboxylic acid?
The InChIKey is YQTXPJIZLNWHQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO5/c1-6-3-7(4-9(14)11(6)17-2)8-5-10(12(15)16)18-13-8/h3-5,14H,1-2H3,(H,15,16).
What are the key properties of 3-(3-hydroxy-4-methoxy-5-methylphenyl)-1,2-oxazole-5-carboxylic acid?
3-(3-hydroxy-4-methoxy-5-methylphenyl)-1,2-oxazole-5-carboxylic acid has a molecular weight of 249.22 g/mol, XLogP of 2.06, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxy-4-methoxy-5-methylphenyl)-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 117375231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).