4-methyl-5-(trichloromethyl)-1,2-oxazole

C5H4Cl3NO — CID 5324213

IUPAC4-methyl-5-(trichloromethyl)-1,2-oxazole
SMILESCc1cnoc1C(Cl)(Cl)Cl
InChIInChI=1S/C5H4Cl3NO/c1-3-2-9-10-4(3)5(6,7)8/h2H,1H3
InChIKeyYEHKGODHYQCBLT-UHFFFAOYSA-N
MW200.45 g/mol
LogP2.81
Rot. Bonds

About 4-methyl-5-(trichloromethyl)-1,2-oxazole

4-methyl-5-(trichloromethyl)-1,2-oxazole (PubChem CID 5324213) has the molecular formula C5H4Cl3NO and a molecular weight of 200.45 g/mol. Its IUPAC name is 4-methyl-5-(trichloromethyl)-1,2-oxazole.

Molecular Properties

Compound Name4-methyl-5-(trichloromethyl)-1,2-oxazole
PubChem CID5324213
Molecular FormulaC5H4Cl3NO
Molecular Weight200.45 g/mol
Exact Mass198.94
IUPAC Name4-methyl-5-(trichloromethyl)-1,2-oxazole
SMILESCc1cnoc1C(Cl)(Cl)Cl
InChIInChI=1S/C5H4Cl3NO/c1-3-2-9-10-4(3)5(6,7)8/h2H,1H3
InChIKeyYEHKGODHYQCBLT-UHFFFAOYSA-N
XLogP2.81
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.45
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-methyl-5-(trichloromethyl)-1,2-oxazole 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-5-(trichloromethyl)-1,2-oxazole?
The IUPAC name of 4-methyl-5-(trichloromethyl)-1,2-oxazole (CID 5324213) is 4-methyl-5-(trichloromethyl)-1,2-oxazole.
What is the SMILES notation for 4-methyl-5-(trichloromethyl)-1,2-oxazole?
The canonical SMILES for 4-methyl-5-(trichloromethyl)-1,2-oxazole is Cc1cnoc1C(Cl)(Cl)Cl.
What is the InChIKey of 4-methyl-5-(trichloromethyl)-1,2-oxazole?
The InChIKey is YEHKGODHYQCBLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4Cl3NO/c1-3-2-9-10-4(3)5(6,7)8/h2H,1H3.
What are the key properties of 4-methyl-5-(trichloromethyl)-1,2-oxazole?
4-methyl-5-(trichloromethyl)-1,2-oxazole has a molecular weight of 200.45 g/mol, XLogP of 2.81, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-(trichloromethyl)-1,2-oxazole is sourced from PubChem (CID 5324213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).