5-(methoxymethyl)-1,2-oxazole-4-carboxylic acid

C6H7NO4 — CID 14787251

IUPAC5-(methoxymethyl)-1,2-oxazole-4-carboxylic acid
SMILESCOCc1oncc1C(=O)O
InChIInChI=1S/C6H7NO4/c1-10-3-5-4(6(8)9)2-7-11-5/h2H,3H2,1H3,(H,8,9)
InChIKeyVKYAVCXPZKRQAJ-UHFFFAOYSA-N
MW157.12 g/mol
LogP0.52
Rot. Bonds3

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

5-(methoxymethyl)-1,2-oxazole-4-carboxylic acid (PubChem CID 14787251) has the molecular formula C6H7NO4 and a molecular weight of 157.12 g/mol. Its IUPAC name is 5-(methoxymethyl)-1,2-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(methoxymethyl)-1,2-oxazole-4-carboxylic acid
PubChem CID14787251
Molecular FormulaC6H7NO4
Molecular Weight157.12 g/mol
Exact Mass157.04
IUPAC Name5-(methoxymethyl)-1,2-oxazole-4-carboxylic acid
SMILESCOCc1oncc1C(=O)O
InChIInChI=1S/C6H7NO4/c1-10-3-5-4(6(8)9)2-7-11-5/h2H,3H2,1H3,(H,8,9)
InChIKeyVKYAVCXPZKRQAJ-UHFFFAOYSA-N
XLogP0.52
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.12
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(methoxymethyl)-1,2-oxazole-4-carboxylic acid?
The IUPAC name of 5-(methoxymethyl)-1,2-oxazole-4-carboxylic acid (CID 14787251) is 5-(methoxymethyl)-1,2-oxazole-4-carboxylic acid.
What is the SMILES notation for 5-(methoxymethyl)-1,2-oxazole-4-carboxylic acid?
The canonical SMILES for 5-(methoxymethyl)-1,2-oxazole-4-carboxylic acid is COCc1oncc1C(=O)O.
What is the InChIKey of 5-(methoxymethyl)-1,2-oxazole-4-carboxylic acid?
The InChIKey is VKYAVCXPZKRQAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO4/c1-10-3-5-4(6(8)9)2-7-11-5/h2H,3H2,1H3,(H,8,9).
What are the key properties of 5-(methoxymethyl)-1,2-oxazole-4-carboxylic acid?
5-(methoxymethyl)-1,2-oxazole-4-carboxylic acid has a molecular weight of 157.12 g/mol, XLogP of 0.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxymethyl)-1,2-oxazole-4-carboxylic acid is sourced from PubChem (CID 14787251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).