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

C12H11NO4 — CID 117337528

IUPAC5-[2-(methoxymethyl)phenyl]-1,2-oxazole-3-carboxylic acid
SMILESCOCc1ccccc1-c1cc(C(=O)O)no1
InChIInChI=1S/C12H11NO4/c1-16-7-8-4-2-3-5-9(8)11-6-10(12(14)15)13-17-11/h2-6H,7H2,1H3,(H,14,15)
InChIKeyKNODWNOCUHHBAU-UHFFFAOYSA-N
MW233.22 g/mol
LogP2.19
Rot. Bonds4

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

5-[2-(methoxymethyl)phenyl]-1,2-oxazole-3-carboxylic acid (PubChem CID 117337528) has the molecular formula C12H11NO4 and a molecular weight of 233.22 g/mol. Its IUPAC name is 5-[2-(methoxymethyl)phenyl]-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-[2-(methoxymethyl)phenyl]-1,2-oxazole-3-carboxylic acid
PubChem CID117337528
Molecular FormulaC12H11NO4
Molecular Weight233.22 g/mol
Exact Mass233.07
IUPAC Name5-[2-(methoxymethyl)phenyl]-1,2-oxazole-3-carboxylic acid
SMILESCOCc1ccccc1-c1cc(C(=O)O)no1
InChIInChI=1S/C12H11NO4/c1-16-7-8-4-2-3-5-9(8)11-6-10(12(14)15)13-17-11/h2-6H,7H2,1H3,(H,14,15)
InChIKeyKNODWNOCUHHBAU-UHFFFAOYSA-N
XLogP2.19
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.22
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[5-bromo-2-(methoxymethyl)phenyl]-1,2-oxazole-3-carboxylic acid
CID 117496616
5-[2-bromo-6-(methoxymethyl)phenyl]-1,2-oxazole-3-carboxylic acid
CID 117496614
5-[7-(methoxymethyl)-1,3-benzodioxol-4-yl]-1,2-oxazole-3-carboxylic acid
CID 117443796
5-[3-hydroxy-4-(methoxymethyl)phenyl]-1,2-oxazole-3-carboxylic acid
CID 117375249
5-(1-methoxynaphthalen-2-yl)-1,2-oxazole-3-carboxylic acid
CID 176969039
5-[2-(diethylamino)phenyl]-1,2-oxazole-3-carboxylic acid
CID 117404780
5-[2-fluoro-6-methoxy-3-(methoxymethyl)phenyl]-1,2-oxazole-3-carboxylic acid
CID 117451194
5-[2-fluoro-4-methoxy-3-(methoxymethyl)phenyl]-1,2-oxazole-3-carboxylic acid
CID 117451195
5-(3-chloro-2-methoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 117386910
5-[2-(1-fluoroethyl)phenyl]-1,2-oxazole-3-carboxylic acid
CID 117341655
5-[6-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]-1,2-oxazole-3-carboxylic acid
CID 117470340
5-[2-(1-methylazetidin-3-yl)phenyl]-1,2-oxazole-3-carboxylic acid
CID 117399099

Frequently Asked Questions

What is the IUPAC name of 5-[2-(methoxymethyl)phenyl]-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-[2-(methoxymethyl)phenyl]-1,2-oxazole-3-carboxylic acid (CID 117337528) is 5-[2-(methoxymethyl)phenyl]-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-[2-(methoxymethyl)phenyl]-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-[2-(methoxymethyl)phenyl]-1,2-oxazole-3-carboxylic acid is COCc1ccccc1-c1cc(C(=O)O)no1.
What is the InChIKey of 5-[2-(methoxymethyl)phenyl]-1,2-oxazole-3-carboxylic acid?
The InChIKey is KNODWNOCUHHBAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO4/c1-16-7-8-4-2-3-5-9(8)11-6-10(12(14)15)13-17-11/h2-6H,7H2,1H3,(H,14,15).
What are the key properties of 5-[2-(methoxymethyl)phenyl]-1,2-oxazole-3-carboxylic acid?
5-[2-(methoxymethyl)phenyl]-1,2-oxazole-3-carboxylic acid has a molecular weight of 233.22 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(methoxymethyl)phenyl]-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 117337528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).