5-(difluoromethyl)-2-methyl-1,3-oxazole-4-carbonyl chloride

C6H4ClF2NO2 — CID 125493150

IUPAC5-(difluoromethyl)-2-methyl-1,3-oxazole-4-carbonyl chloride
SMILESCc1nc(C(=O)Cl)c(C(F)F)o1
InChIInChI=1S/C6H4ClF2NO2/c1-2-10-3(5(7)11)4(12-2)6(8)9/h6H,1H3
InChIKeyUGMFFLLEADAMJY-UHFFFAOYSA-N
MW195.55 g/mol
LogP2.30
Rot. Bonds2

About 5-(difluoromethyl)-2-methyl-1,3-oxazole-4-carbonyl chloride

5-(difluoromethyl)-2-methyl-1,3-oxazole-4-carbonyl chloride (PubChem CID 125493150) has the molecular formula C6H4ClF2NO2 and a molecular weight of 195.55 g/mol. Its IUPAC name is 5-(difluoromethyl)-2-methyl-1,3-oxazole-4-carbonyl chloride.

Molecular Properties

Compound Name5-(difluoromethyl)-2-methyl-1,3-oxazole-4-carbonyl chloride
PubChem CID125493150
Molecular FormulaC6H4ClF2NO2
Molecular Weight195.55 g/mol
Exact Mass194.99
IUPAC Name5-(difluoromethyl)-2-methyl-1,3-oxazole-4-carbonyl chloride
SMILESCc1nc(C(=O)Cl)c(C(F)F)o1
InChIInChI=1S/C6H4ClF2NO2/c1-2-10-3(5(7)11)4(12-2)6(8)9/h6H,1H3
InChIKeyUGMFFLLEADAMJY-UHFFFAOYSA-N
XLogP2.30
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.55
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-(difluoromethyl)-2-methyl-1,3-oxazole-4-carbonyl 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 5-(difluoromethyl)-2-methyl-1,3-oxazole-4-carbonyl chloride?
The IUPAC name of 5-(difluoromethyl)-2-methyl-1,3-oxazole-4-carbonyl chloride (CID 125493150) is 5-(difluoromethyl)-2-methyl-1,3-oxazole-4-carbonyl chloride.
What is the SMILES notation for 5-(difluoromethyl)-2-methyl-1,3-oxazole-4-carbonyl chloride?
The canonical SMILES for 5-(difluoromethyl)-2-methyl-1,3-oxazole-4-carbonyl chloride is Cc1nc(C(=O)Cl)c(C(F)F)o1.
What is the InChIKey of 5-(difluoromethyl)-2-methyl-1,3-oxazole-4-carbonyl chloride?
The InChIKey is UGMFFLLEADAMJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4ClF2NO2/c1-2-10-3(5(7)11)4(12-2)6(8)9/h6H,1H3.
What are the key properties of 5-(difluoromethyl)-2-methyl-1,3-oxazole-4-carbonyl chloride?
5-(difluoromethyl)-2-methyl-1,3-oxazole-4-carbonyl chloride has a molecular weight of 195.55 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-2-methyl-1,3-oxazole-4-carbonyl chloride is sourced from PubChem (CID 125493150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).