4-(methoxymethyl)-2-methyl-1,3-oxazole-5-carboxylic acid

C7H9NO4 — CID 114373903

IUPAC4-(methoxymethyl)-2-methyl-1,3-oxazole-5-carboxylic acid
SMILESCOCc1nc(C)oc1C(=O)O
InChIInChI=1S/C7H9NO4/c1-4-8-5(3-11-2)6(12-4)7(9)10/h3H2,1-2H3,(H,9,10)
InChIKeyIFGWVUWHZXYEMU-UHFFFAOYSA-N
MW171.15 g/mol
LogP0.83
Rot. Bonds3

About 4-(methoxymethyl)-2-methyl-1,3-oxazole-5-carboxylic acid

4-(methoxymethyl)-2-methyl-1,3-oxazole-5-carboxylic acid (PubChem CID 114373903) has the molecular formula C7H9NO4 and a molecular weight of 171.15 g/mol. Its IUPAC name is 4-(methoxymethyl)-2-methyl-1,3-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name4-(methoxymethyl)-2-methyl-1,3-oxazole-5-carboxylic acid
PubChem CID114373903
Molecular FormulaC7H9NO4
Molecular Weight171.15 g/mol
Exact Mass171.05
IUPAC Name4-(methoxymethyl)-2-methyl-1,3-oxazole-5-carboxylic acid
SMILESCOCc1nc(C)oc1C(=O)O
InChIInChI=1S/C7H9NO4/c1-4-8-5(3-11-2)6(12-4)7(9)10/h3H2,1-2H3,(H,9,10)
InChIKeyIFGWVUWHZXYEMU-UHFFFAOYSA-N
XLogP0.83
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.15
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(methoxymethyl)-2-methyl-1,3-oxazole-5-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-2-methyl-1,3-oxazole-5-carboxylic acid?
The IUPAC name of 4-(methoxymethyl)-2-methyl-1,3-oxazole-5-carboxylic acid (CID 114373903) is 4-(methoxymethyl)-2-methyl-1,3-oxazole-5-carboxylic acid.
What is the SMILES notation for 4-(methoxymethyl)-2-methyl-1,3-oxazole-5-carboxylic acid?
The canonical SMILES for 4-(methoxymethyl)-2-methyl-1,3-oxazole-5-carboxylic acid is COCc1nc(C)oc1C(=O)O.
What is the InChIKey of 4-(methoxymethyl)-2-methyl-1,3-oxazole-5-carboxylic acid?
The InChIKey is IFGWVUWHZXYEMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO4/c1-4-8-5(3-11-2)6(12-4)7(9)10/h3H2,1-2H3,(H,9,10).
What are the key properties of 4-(methoxymethyl)-2-methyl-1,3-oxazole-5-carboxylic acid?
4-(methoxymethyl)-2-methyl-1,3-oxazole-5-carboxylic acid has a molecular weight of 171.15 g/mol, XLogP of 0.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-2-methyl-1,3-oxazole-5-carboxylic acid is sourced from PubChem (CID 114373903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).