5-(2-methoxyphenoxy)carbonyl-1,2-oxazole-3-carboxylic acid

C12H9NO6 — CID 117218096

IUPAC5-(2-methoxyphenoxy)carbonyl-1,2-oxazole-3-carboxylic acid
SMILESCOc1ccccc1OC(=O)c1cc(C(=O)O)no1
InChIInChI=1S/C12H9NO6/c1-17-8-4-2-3-5-9(8)18-12(16)10-6-7(11(14)15)13-19-10/h2-6H,1H3,(H,14,15)
InChIKeyLLPUJGJWYFHFTG-UHFFFAOYSA-N
MW263.21 g/mol
LogP1.60
Rot. Bonds4

About 5-(2-methoxyphenoxy)carbonyl-1,2-oxazole-3-carboxylic acid

5-(2-methoxyphenoxy)carbonyl-1,2-oxazole-3-carboxylic acid (PubChem CID 117218096) has the molecular formula C12H9NO6 and a molecular weight of 263.21 g/mol. Its IUPAC name is 5-(2-methoxyphenoxy)carbonyl-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(2-methoxyphenoxy)carbonyl-1,2-oxazole-3-carboxylic acid
PubChem CID117218096
Molecular FormulaC12H9NO6
Molecular Weight263.21 g/mol
Exact Mass263.04
IUPAC Name5-(2-methoxyphenoxy)carbonyl-1,2-oxazole-3-carboxylic acid
SMILESCOc1ccccc1OC(=O)c1cc(C(=O)O)no1
InChIInChI=1S/C12H9NO6/c1-17-8-4-2-3-5-9(8)18-12(16)10-6-7(11(14)15)13-19-10/h2-6H,1H3,(H,14,15)
InChIKeyLLPUJGJWYFHFTG-UHFFFAOYSA-N
XLogP1.60
TPSA98.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.21
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

6-(2-methoxyphenoxy)carbonylpyrazine-2-carboxylic acid
CID 117212928
3-(2-fluorophenoxy)carbonyl-1,2-oxazole-5-carboxylic acid
CID 117215037
5-[2-(2-methoxyphenyl)propan-2-yl]-1,2-oxazole-3-carboxylic acid
CID 82484911
5-(3-hydroxyphenoxy)carbonyl-1,2-oxazole-3-carboxylic acid
CID 117218109
5-(2-methoxyphenoxy)carbonyl-1,1-dioxo-1,2-thiazole-4-carboxylic acid
CID 117218755
5-[[2-(2-methoxyphenyl)ethylamino]methyl]-1,2-oxazole-3-carboxylic acid
CID 106261771
5-(2-ethoxy-6-methoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 117411996
5-[(2-methoxyphenoxy)methyl]pyridine-2-carboxylic acid
CID 117213246
2-(2-methoxyphenoxy)-2-oxoacetic acid
CID 14886364
5-(3-methoxy-2-propan-2-ylphenyl)-1,2-oxazole-3-carboxylic acid
CID 117406877
5-(4-fluoro-2-methoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 117345967
5-(2-methoxyphenoxy)carbonyl-1,3-thiazole-4-carboxylic acid
CID 117214754

Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxyphenoxy)carbonyl-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-(2-methoxyphenoxy)carbonyl-1,2-oxazole-3-carboxylic acid (CID 117218096) is 5-(2-methoxyphenoxy)carbonyl-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-(2-methoxyphenoxy)carbonyl-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-(2-methoxyphenoxy)carbonyl-1,2-oxazole-3-carboxylic acid is COc1ccccc1OC(=O)c1cc(C(=O)O)no1.
What is the InChIKey of 5-(2-methoxyphenoxy)carbonyl-1,2-oxazole-3-carboxylic acid?
The InChIKey is LLPUJGJWYFHFTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NO6/c1-17-8-4-2-3-5-9(8)18-12(16)10-6-7(11(14)15)13-19-10/h2-6H,1H3,(H,14,15).
What are the key properties of 5-(2-methoxyphenoxy)carbonyl-1,2-oxazole-3-carboxylic acid?
5-(2-methoxyphenoxy)carbonyl-1,2-oxazole-3-carboxylic acid has a molecular weight of 263.21 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxyphenoxy)carbonyl-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 117218096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).