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

C10H4ClF2NO2 — CID 166151572

IUPAC5-(2,4-difluorophenyl)-1,2-oxazole-3-carbonyl chloride
SMILESO=C(Cl)c1cc(-c2ccc(F)cc2F)on1
InChIInChI=1S/C10H4ClF2NO2/c11-10(15)8-4-9(16-14-8)6-2-1-5(12)3-7(6)13/h1-4H
InChIKeyXHUPCIBUTKJSDO-UHFFFAOYSA-N
MW243.60 g/mol
LogP3.00
Rot. Bonds2

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

5-(2,4-difluorophenyl)-1,2-oxazole-3-carbonyl chloride (PubChem CID 166151572) has the molecular formula C10H4ClF2NO2 and a molecular weight of 243.60 g/mol. Its IUPAC name is 5-(2,4-difluorophenyl)-1,2-oxazole-3-carbonyl chloride.

Molecular Properties

Compound Name5-(2,4-difluorophenyl)-1,2-oxazole-3-carbonyl chloride
PubChem CID166151572
Molecular FormulaC10H4ClF2NO2
Molecular Weight243.60 g/mol
Exact Mass242.99
IUPAC Name5-(2,4-difluorophenyl)-1,2-oxazole-3-carbonyl chloride
SMILESO=C(Cl)c1cc(-c2ccc(F)cc2F)on1
InChIInChI=1S/C10H4ClF2NO2/c11-10(15)8-4-9(16-14-8)6-2-1-5(12)3-7(6)13/h1-4H
InChIKeyXHUPCIBUTKJSDO-UHFFFAOYSA-N
XLogP3.00
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.60
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(2,4-difluorophenyl)-1,2-oxazole-3-carbonyl chloride?
The IUPAC name of 5-(2,4-difluorophenyl)-1,2-oxazole-3-carbonyl chloride (CID 166151572) is 5-(2,4-difluorophenyl)-1,2-oxazole-3-carbonyl chloride.
What is the SMILES notation for 5-(2,4-difluorophenyl)-1,2-oxazole-3-carbonyl chloride?
The canonical SMILES for 5-(2,4-difluorophenyl)-1,2-oxazole-3-carbonyl chloride is O=C(Cl)c1cc(-c2ccc(F)cc2F)on1.
What is the InChIKey of 5-(2,4-difluorophenyl)-1,2-oxazole-3-carbonyl chloride?
The InChIKey is XHUPCIBUTKJSDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4ClF2NO2/c11-10(15)8-4-9(16-14-8)6-2-1-5(12)3-7(6)13/h1-4H.
What are the key properties of 5-(2,4-difluorophenyl)-1,2-oxazole-3-carbonyl chloride?
5-(2,4-difluorophenyl)-1,2-oxazole-3-carbonyl chloride has a molecular weight of 243.60 g/mol, XLogP of 3.00, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-difluorophenyl)-1,2-oxazole-3-carbonyl chloride is sourced from PubChem (CID 166151572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).