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

C10H5Cl2NO3 — CID 1302354

IUPAC5-(2,4-dichlorophenyl)-1,2-oxazole-3-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(Cl)cc2Cl)on1
InChIInChI=1S/C10H5Cl2NO3/c11-5-1-2-6(7(12)3-5)9-4-8(10(14)15)13-16-9/h1-4H,(H,14,15)
InChIKeyJTPPKCXDMFYTFD-UHFFFAOYSA-N
MW258.06 g/mol
LogP3.35
Rot. Bonds2

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

5-(2,4-dichlorophenyl)-1,2-oxazole-3-carboxylic acid (PubChem CID 1302354) has the molecular formula C10H5Cl2NO3 and a molecular weight of 258.06 g/mol. Its IUPAC name is 5-(2,4-dichlorophenyl)-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(2,4-dichlorophenyl)-1,2-oxazole-3-carboxylic acid
PubChem CID1302354
Molecular FormulaC10H5Cl2NO3
Molecular Weight258.06 g/mol
Exact Mass256.96
IUPAC Name5-(2,4-dichlorophenyl)-1,2-oxazole-3-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(Cl)cc2Cl)on1
InChIInChI=1S/C10H5Cl2NO3/c11-5-1-2-6(7(12)3-5)9-4-8(10(14)15)13-16-9/h1-4H,(H,14,15)
InChIKeyJTPPKCXDMFYTFD-UHFFFAOYSA-N
XLogP3.35
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.06
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-(2,4-dichlorophenyl)-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-(2,4-dichlorophenyl)-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-(2,4-dichlorophenyl)-1,2-oxazole-3-carboxylic acid (CID 1302354) is 5-(2,4-dichlorophenyl)-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-(2,4-dichlorophenyl)-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-(2,4-dichlorophenyl)-1,2-oxazole-3-carboxylic acid is O=C(O)c1cc(-c2ccc(Cl)cc2Cl)on1.
What is the InChIKey of 5-(2,4-dichlorophenyl)-1,2-oxazole-3-carboxylic acid?
The InChIKey is JTPPKCXDMFYTFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5Cl2NO3/c11-5-1-2-6(7(12)3-5)9-4-8(10(14)15)13-16-9/h1-4H,(H,14,15).
What are the key properties of 5-(2,4-dichlorophenyl)-1,2-oxazole-3-carboxylic acid?
5-(2,4-dichlorophenyl)-1,2-oxazole-3-carboxylic acid has a molecular weight of 258.06 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dichlorophenyl)-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 1302354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).