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

C11H11NO3 — CID 25248671

IUPAC5-(4-methylphenyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid
SMILESCc1ccc(C2CC(C(=O)O)=NO2)cc1
InChIInChI=1S/C11H11NO3/c1-7-2-4-8(5-3-7)10-6-9(11(13)14)12-15-10/h2-5,10H,6H2,1H3,(H,13,14)
InChIKeyVMLYHAMUXCKCLJ-UHFFFAOYSA-N
MW205.21 g/mol
LogP1.90
Rot. Bonds2

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

5-(4-methylphenyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid (PubChem CID 25248671) has the molecular formula C11H11NO3 and a molecular weight of 205.21 g/mol. Its IUPAC name is 5-(4-methylphenyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(4-methylphenyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid
PubChem CID25248671
Molecular FormulaC11H11NO3
Molecular Weight205.21 g/mol
Exact Mass205.07
IUPAC Name5-(4-methylphenyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid
SMILESCc1ccc(C2CC(C(=O)O)=NO2)cc1
InChIInChI=1S/C11H11NO3/c1-7-2-4-8(5-3-7)10-6-9(11(13)14)12-15-10/h2-5,10H,6H2,1H3,(H,13,14)
InChIKeyVMLYHAMUXCKCLJ-UHFFFAOYSA-N
XLogP1.90
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-(4-methylphenyl)-4,5-dihydro-1,2-oxazole-3-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-(4-methylphenyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-(4-methylphenyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid (CID 25248671) is 5-(4-methylphenyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-(4-methylphenyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-(4-methylphenyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid is Cc1ccc(C2CC(C(=O)O)=NO2)cc1.
What is the InChIKey of 5-(4-methylphenyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid?
The InChIKey is VMLYHAMUXCKCLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3/c1-7-2-4-8(5-3-7)10-6-9(11(13)14)12-15-10/h2-5,10H,6H2,1H3,(H,13,14).
What are the key properties of 5-(4-methylphenyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid?
5-(4-methylphenyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid has a molecular weight of 205.21 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylphenyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 25248671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).