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

C12H13NO4 — CID 115059922

IUPAC5-(2-methoxyphenyl)-2-methyl-4,5-dihydro-1,3-oxazole-4-carboxylic acid
SMILESCOc1ccccc1C1OC(C)=NC1C(=O)O
InChIInChI=1S/C12H13NO4/c1-7-13-10(12(14)15)11(17-7)8-5-3-4-6-9(8)16-2/h3-6,10-11H,1-2H3,(H,14,15)
InChIKeyLNRBAJFHWASURC-UHFFFAOYSA-N
MW235.24 g/mol
LogP1.64
Rot. Bonds3

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

5-(2-methoxyphenyl)-2-methyl-4,5-dihydro-1,3-oxazole-4-carboxylic acid (PubChem CID 115059922) has the molecular formula C12H13NO4 and a molecular weight of 235.24 g/mol. Its IUPAC name is 5-(2-methoxyphenyl)-2-methyl-4,5-dihydro-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(2-methoxyphenyl)-2-methyl-4,5-dihydro-1,3-oxazole-4-carboxylic acid
PubChem CID115059922
Molecular FormulaC12H13NO4
Molecular Weight235.24 g/mol
Exact Mass235.08
IUPAC Name5-(2-methoxyphenyl)-2-methyl-4,5-dihydro-1,3-oxazole-4-carboxylic acid
SMILESCOc1ccccc1C1OC(C)=NC1C(=O)O
InChIInChI=1S/C12H13NO4/c1-7-13-10(12(14)15)11(17-7)8-5-3-4-6-9(8)16-2/h3-6,10-11H,1-2H3,(H,14,15)
InChIKeyLNRBAJFHWASURC-UHFFFAOYSA-N
XLogP1.64
TPSA68.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(2-methoxyphenyl)-2-methyl-4,5-dihydro-1,3-oxazole-4-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 5-(2-methoxyphenyl)-2-methyl-4,5-dihydro-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 5-(2-methoxyphenyl)-2-methyl-4,5-dihydro-1,3-oxazole-4-carboxylic acid (CID 115059922) is 5-(2-methoxyphenyl)-2-methyl-4,5-dihydro-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 5-(2-methoxyphenyl)-2-methyl-4,5-dihydro-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 5-(2-methoxyphenyl)-2-methyl-4,5-dihydro-1,3-oxazole-4-carboxylic acid is COc1ccccc1C1OC(C)=NC1C(=O)O.
What is the InChIKey of 5-(2-methoxyphenyl)-2-methyl-4,5-dihydro-1,3-oxazole-4-carboxylic acid?
The InChIKey is LNRBAJFHWASURC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO4/c1-7-13-10(12(14)15)11(17-7)8-5-3-4-6-9(8)16-2/h3-6,10-11H,1-2H3,(H,14,15).
What are the key properties of 5-(2-methoxyphenyl)-2-methyl-4,5-dihydro-1,3-oxazole-4-carboxylic acid?
5-(2-methoxyphenyl)-2-methyl-4,5-dihydro-1,3-oxazole-4-carboxylic acid has a molecular weight of 235.24 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxyphenyl)-2-methyl-4,5-dihydro-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 115059922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).