4-methyl-1,3-oxazole-2,5-dicarbonyl chloride

C6H3Cl2NO3 — CID 71438017

IUPAC4-methyl-1,3-oxazole-2,5-dicarbonyl chloride
SMILESCc1nc(C(=O)Cl)oc1C(=O)Cl
InChIInChI=1S/C6H3Cl2NO3/c1-2-3(4(7)10)12-6(9-2)5(8)11/h1H3
InChIKeyYWEBZLGIGROSGF-UHFFFAOYSA-N
MW208.00 g/mol
LogP1.74
Rot. Bonds2

About 4-methyl-1,3-oxazole-2,5-dicarbonyl chloride

4-methyl-1,3-oxazole-2,5-dicarbonyl chloride (PubChem CID 71438017) has the molecular formula C6H3Cl2NO3 and a molecular weight of 208.00 g/mol. Its IUPAC name is 4-methyl-1,3-oxazole-2,5-dicarbonyl chloride.

Molecular Properties

Compound Name4-methyl-1,3-oxazole-2,5-dicarbonyl chloride
PubChem CID71438017
Molecular FormulaC6H3Cl2NO3
Molecular Weight208.00 g/mol
Exact Mass206.95
IUPAC Name4-methyl-1,3-oxazole-2,5-dicarbonyl chloride
SMILESCc1nc(C(=O)Cl)oc1C(=O)Cl
InChIInChI=1S/C6H3Cl2NO3/c1-2-3(4(7)10)12-6(9-2)5(8)11/h1H3
InChIKeyYWEBZLGIGROSGF-UHFFFAOYSA-N
XLogP1.74
TPSA60.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.00
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

Analyze 4-methyl-1,3-oxazole-2,5-dicarbonyl chloride 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-methyl-1,3-oxazole-2,5-dicarbonyl chloride?
The IUPAC name of 4-methyl-1,3-oxazole-2,5-dicarbonyl chloride (CID 71438017) is 4-methyl-1,3-oxazole-2,5-dicarbonyl chloride.
What is the SMILES notation for 4-methyl-1,3-oxazole-2,5-dicarbonyl chloride?
The canonical SMILES for 4-methyl-1,3-oxazole-2,5-dicarbonyl chloride is Cc1nc(C(=O)Cl)oc1C(=O)Cl.
What is the InChIKey of 4-methyl-1,3-oxazole-2,5-dicarbonyl chloride?
The InChIKey is YWEBZLGIGROSGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3Cl2NO3/c1-2-3(4(7)10)12-6(9-2)5(8)11/h1H3.
What are the key properties of 4-methyl-1,3-oxazole-2,5-dicarbonyl chloride?
4-methyl-1,3-oxazole-2,5-dicarbonyl chloride has a molecular weight of 208.00 g/mol, XLogP of 1.74, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1,3-oxazole-2,5-dicarbonyl chloride is sourced from PubChem (CID 71438017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).