5-benzyl-1,3-oxazole-4-carboxylic acid

C11H9NO3 — CID 15555621

IUPAC5-benzyl-1,3-oxazole-4-carboxylic acid
SMILESO=C(O)c1ncoc1Cc1ccccc1
InChIInChI=1S/C11H9NO3/c13-11(14)10-9(15-7-12-10)6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H,13,14)
InChIKeyKNXKLFHJIFGYMG-UHFFFAOYSA-N
MW203.20 g/mol
LogP1.96
Rot. Bonds3

About 5-benzyl-1,3-oxazole-4-carboxylic acid

5-benzyl-1,3-oxazole-4-carboxylic acid (PubChem CID 15555621) has the molecular formula C11H9NO3 and a molecular weight of 203.20 g/mol. Its IUPAC name is 5-benzyl-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name5-benzyl-1,3-oxazole-4-carboxylic acid
PubChem CID15555621
Molecular FormulaC11H9NO3
Molecular Weight203.20 g/mol
Exact Mass203.06
IUPAC Name5-benzyl-1,3-oxazole-4-carboxylic acid
SMILESO=C(O)c1ncoc1Cc1ccccc1
InChIInChI=1S/C11H9NO3/c13-11(14)10-9(15-7-12-10)6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H,13,14)
InChIKeyKNXKLFHJIFGYMG-UHFFFAOYSA-N
XLogP1.96
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-benzyl-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-benzyl-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 5-benzyl-1,3-oxazole-4-carboxylic acid (CID 15555621) is 5-benzyl-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 5-benzyl-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 5-benzyl-1,3-oxazole-4-carboxylic acid is O=C(O)c1ncoc1Cc1ccccc1.
What is the InChIKey of 5-benzyl-1,3-oxazole-4-carboxylic acid?
The InChIKey is KNXKLFHJIFGYMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO3/c13-11(14)10-9(15-7-12-10)6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H,13,14).
What are the key properties of 5-benzyl-1,3-oxazole-4-carboxylic acid?
5-benzyl-1,3-oxazole-4-carboxylic acid has a molecular weight of 203.20 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 15555621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).