5-[3-hydroxy-4-(methoxymethyl)phenyl]-1,2-oxazole-3-carboxylic acid

C12H11NO5 — CID 117375249

IUPAC5-[3-hydroxy-4-(methoxymethyl)phenyl]-1,2-oxazole-3-carboxylic acid
SMILESCOCc1ccc(-c2cc(C(=O)O)no2)cc1O
InChIInChI=1S/C12H11NO5/c1-17-6-8-3-2-7(4-10(8)14)11-5-9(12(15)16)13-18-11/h2-5,14H,6H2,1H3,(H,15,16)
InChIKeyDEEMQKQCLCPONA-UHFFFAOYSA-N
MW249.22 g/mol
LogP1.89
Rot. Bonds4

About 5-[3-hydroxy-4-(methoxymethyl)phenyl]-1,2-oxazole-3-carboxylic acid

5-[3-hydroxy-4-(methoxymethyl)phenyl]-1,2-oxazole-3-carboxylic acid (PubChem CID 117375249) has the molecular formula C12H11NO5 and a molecular weight of 249.22 g/mol. Its IUPAC name is 5-[3-hydroxy-4-(methoxymethyl)phenyl]-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-[3-hydroxy-4-(methoxymethyl)phenyl]-1,2-oxazole-3-carboxylic acid
PubChem CID117375249
Molecular FormulaC12H11NO5
Molecular Weight249.22 g/mol
Exact Mass249.06
IUPAC Name5-[3-hydroxy-4-(methoxymethyl)phenyl]-1,2-oxazole-3-carboxylic acid
SMILESCOCc1ccc(-c2cc(C(=O)O)no2)cc1O
InChIInChI=1S/C12H11NO5/c1-17-6-8-3-2-7(4-10(8)14)11-5-9(12(15)16)13-18-11/h2-5,14H,6H2,1H3,(H,15,16)
InChIKeyDEEMQKQCLCPONA-UHFFFAOYSA-N
XLogP1.89
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.22
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[2-(methoxymethyl)phenyl]-1,2-oxazole-3-carboxylic acid
CID 117337528
5-[5-bromo-2-(methoxymethyl)phenyl]-1,2-oxazole-3-carboxylic acid
CID 117496616
5-[2-fluoro-6-methoxy-3-(methoxymethyl)phenyl]-1,2-oxazole-3-carboxylic acid
CID 117451194
5-(3-fluoro-5-hydroxy-4-methoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 117385107
5-(3-hydroxy-4-iodophenyl)-1,2-oxazole-3-carboxylic acid
CID 155392679
5-[7-(methoxymethyl)-1,3-benzodioxol-4-yl]-1,2-oxazole-3-carboxylic acid
CID 117443796
5-[2-bromo-6-(methoxymethyl)phenyl]-1,2-oxazole-3-carboxylic acid
CID 117496614
5-[4-fluoro-3-(hydroxymethyl)phenyl]-1,2-oxazole-3-carboxylic acid
CID 117345950
5-[4-(2-methoxy-2-methylpropyl)phenyl]-1,2-oxazole-3-carboxylic acid
CID 115111151
5-[6-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]-1,2-oxazole-3-carboxylic acid
CID 117470340
5-[3-(1,2-dimethoxyethyl)phenyl]-1,2-oxazole-3-carboxylic acid
CID 117443882
5-[3-(2-methoxy-2-methylpropyl)phenyl]-1,2-oxazole-3-carboxylic acid
CID 115111159

Frequently Asked Questions

What is the IUPAC name of 5-[3-hydroxy-4-(methoxymethyl)phenyl]-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-[3-hydroxy-4-(methoxymethyl)phenyl]-1,2-oxazole-3-carboxylic acid (CID 117375249) is 5-[3-hydroxy-4-(methoxymethyl)phenyl]-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-[3-hydroxy-4-(methoxymethyl)phenyl]-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-[3-hydroxy-4-(methoxymethyl)phenyl]-1,2-oxazole-3-carboxylic acid is COCc1ccc(-c2cc(C(=O)O)no2)cc1O.
What is the InChIKey of 5-[3-hydroxy-4-(methoxymethyl)phenyl]-1,2-oxazole-3-carboxylic acid?
The InChIKey is DEEMQKQCLCPONA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO5/c1-17-6-8-3-2-7(4-10(8)14)11-5-9(12(15)16)13-18-11/h2-5,14H,6H2,1H3,(H,15,16).
What are the key properties of 5-[3-hydroxy-4-(methoxymethyl)phenyl]-1,2-oxazole-3-carboxylic acid?
5-[3-hydroxy-4-(methoxymethyl)phenyl]-1,2-oxazole-3-carboxylic acid has a molecular weight of 249.22 g/mol, XLogP of 1.89, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-hydroxy-4-(methoxymethyl)phenyl]-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 117375249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).