5-[chloro(difluoro)methyl]-3-(4-chlorophenyl)-1,2-oxazole-4-carbonyl chloride

C11H4Cl3F2NO2 — CID 10314323

IUPAC5-[chloro(difluoro)methyl]-3-(4-chlorophenyl)-1,2-oxazole-4-carbonyl chloride
SMILESO=C(Cl)c1c(-c2ccc(Cl)cc2)noc1C(F)(F)Cl
InChIInChI=1S/C11H4Cl3F2NO2/c12-6-3-1-5(2-4-6)8-7(10(13)18)9(19-17-8)11(14,15)16/h1-4H
InChIKeyYLSARZYNIARDLX-UHFFFAOYSA-N
MW326.51 g/mol
LogP4.66
Rot. Bonds3

About 5-[chloro(difluoro)methyl]-3-(4-chlorophenyl)-1,2-oxazole-4-carbonyl chloride

5-[chloro(difluoro)methyl]-3-(4-chlorophenyl)-1,2-oxazole-4-carbonyl chloride (PubChem CID 10314323) has the molecular formula C11H4Cl3F2NO2 and a molecular weight of 326.51 g/mol. Its IUPAC name is 5-[chloro(difluoro)methyl]-3-(4-chlorophenyl)-1,2-oxazole-4-carbonyl chloride.

Molecular Properties

Compound Name5-[chloro(difluoro)methyl]-3-(4-chlorophenyl)-1,2-oxazole-4-carbonyl chloride
PubChem CID10314323
Molecular FormulaC11H4Cl3F2NO2
Molecular Weight326.51 g/mol
Exact Mass324.93
IUPAC Name5-[chloro(difluoro)methyl]-3-(4-chlorophenyl)-1,2-oxazole-4-carbonyl chloride
SMILESO=C(Cl)c1c(-c2ccc(Cl)cc2)noc1C(F)(F)Cl
InChIInChI=1S/C11H4Cl3F2NO2/c12-6-3-1-5(2-4-6)8-7(10(13)18)9(19-17-8)11(14,15)16/h1-4H
InChIKeyYLSARZYNIARDLX-UHFFFAOYSA-N
XLogP4.66
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.51
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 5-[chloro(difluoro)methyl]-3-(4-chlorophenyl)-1,2-oxazole-4-carboxylate
CID 10358731
1-[3-(4-chlorophenyl)-5-(trifluoromethyl)-1,2-oxazol-4-yl]ethanone
CID 67362402
3-(4-chlorophenyl)-5-propan-2-yl-1,2-oxazole-4-carbonyl chloride
CID 139632562
3-(4-chlorophenyl)-5-propyl-1,2-oxazole-4-carbonyl chloride
CID 139632551
5-[chloro(difluoro)methyl]-3-(4-chloro-2-fluorophenyl)-N-ethyl-1,2-oxazole-4-carboxamide
CID 10360692
5-methyl-3-(4-propan-2-ylphenyl)-1,2-oxazole-4-carbonyl chloride
CID 13051603
5-[chloro(difluoro)methyl]-3-(4-chloro-2-fluorophenyl)-N-propyl-1,2-oxazole-4-carboxamide
CID 10067508
2-bromo-1-[3-(4-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]ethanone
CID 46741259
ethyl 3-(4-chlorophenyl)-5-phenyl-1,2-oxazole-4-carboxylate
CID 131867124
ethyl 5-(3-chloro-1,1,2,2,3,3-hexafluoropropyl)-3-phenyl-1,2-oxazole-4-carboxylate
CID 15514968
ethyl 3-(4-chlorophenyl)-5-(propanoylamino)-1,2-oxazole-4-carboxylate
CID 108742866
3-phenyl-5-propan-2-yl-1,2-oxazole-4-carbonyl chloride
CID 21317239

Frequently Asked Questions

What is the IUPAC name of 5-[chloro(difluoro)methyl]-3-(4-chlorophenyl)-1,2-oxazole-4-carbonyl chloride?
The IUPAC name of 5-[chloro(difluoro)methyl]-3-(4-chlorophenyl)-1,2-oxazole-4-carbonyl chloride (CID 10314323) is 5-[chloro(difluoro)methyl]-3-(4-chlorophenyl)-1,2-oxazole-4-carbonyl chloride.
What is the SMILES notation for 5-[chloro(difluoro)methyl]-3-(4-chlorophenyl)-1,2-oxazole-4-carbonyl chloride?
The canonical SMILES for 5-[chloro(difluoro)methyl]-3-(4-chlorophenyl)-1,2-oxazole-4-carbonyl chloride is O=C(Cl)c1c(-c2ccc(Cl)cc2)noc1C(F)(F)Cl.
What is the InChIKey of 5-[chloro(difluoro)methyl]-3-(4-chlorophenyl)-1,2-oxazole-4-carbonyl chloride?
The InChIKey is YLSARZYNIARDLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H4Cl3F2NO2/c12-6-3-1-5(2-4-6)8-7(10(13)18)9(19-17-8)11(14,15)16/h1-4H.
What are the key properties of 5-[chloro(difluoro)methyl]-3-(4-chlorophenyl)-1,2-oxazole-4-carbonyl chloride?
5-[chloro(difluoro)methyl]-3-(4-chlorophenyl)-1,2-oxazole-4-carbonyl chloride has a molecular weight of 326.51 g/mol, XLogP of 4.66, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[chloro(difluoro)methyl]-3-(4-chlorophenyl)-1,2-oxazole-4-carbonyl chloride is sourced from PubChem (CID 10314323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).