3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl chloride

C11H6Cl2FNO2 — CID 2736581

IUPAC3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl chloride
SMILESCc1onc(-c2c(F)cccc2Cl)c1C(=O)Cl
InChIInChI=1S/C11H6Cl2FNO2/c1-5-8(11(13)16)10(15-17-5)9-6(12)3-2-4-7(9)14/h2-4H,1H3
InChIKeyXJCUKCOLGJDGGN-UHFFFAOYSA-N
MW274.08 g/mol
LogP3.82
Rot. Bonds2

About 3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl chloride

3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl chloride (PubChem CID 2736581) has the molecular formula C11H6Cl2FNO2 and a molecular weight of 274.08 g/mol. Its IUPAC name is 3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl chloride.

Molecular Properties

Compound Name3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl chloride
PubChem CID2736581
Molecular FormulaC11H6Cl2FNO2
Molecular Weight274.08 g/mol
Exact Mass272.98
IUPAC Name3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl chloride
SMILESCc1onc(-c2c(F)cccc2Cl)c1C(=O)Cl
InChIInChI=1S/C11H6Cl2FNO2/c1-5-8(11(13)16)10(15-17-5)9-6(12)3-2-4-7(9)14/h2-4H,1H3
InChIKeyXJCUKCOLGJDGGN-UHFFFAOYSA-N
XLogP3.82
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.08
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2,6-Dichlorophenyl)-5-methylisoxazole-4-carbonyl chloride
CID 78212
Methyl 3-(2,6-dichlorophenyl)-5-methylisoxazole-4-carboxylate
CID 619436
3-(2-Chloro-6-fluorophenyl)-5-methyl-4-isoxazolecarbothioamide
CID 2780924
5-Methyl-3-phenylisoxazole-4-carbonyl chloride
CID 85624
4-Isoxazolecarboxylic acid, 3-(2-chlorophenyl)-5-methyl-
CID 90203
4-Isoxazolecarbonyl chloride, 3-(2-chlorophenyl)-5-methyl-
CID 96590
Methanone, (3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolyl)phenyl-
CID 2805168
3-(2-Chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 653647
3-(2-Chloro-6-fluorophenyl)-5-[2-(dimethylamino)vinyl]-4-isoxazolecarbonitrile
CID 1473179
3-(2-Chlorophenyl)-5-methyl-4-phenyl-1,2-oxazole
CID 57780773
4-Isoxazolecarboxylic acid, 3-(2,6-dichlorophenyl)-5-methyl-
CID 77521
3-(2-chloro-6-fluorophenyl)-N-cyclopropyl-5-methyl-1,2-oxazole-4-carboxamide
CID 2374581

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl chloride?
The IUPAC name of 3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl chloride (CID 2736581) is 3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl chloride.
What is the SMILES notation for 3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl chloride?
The canonical SMILES for 3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl chloride is Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Cl.
What is the InChIKey of 3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl chloride?
The InChIKey is XJCUKCOLGJDGGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Cl2FNO2/c1-5-8(11(13)16)10(15-17-5)9-6(12)3-2-4-7(9)14/h2-4H,1H3.
What are the key properties of 3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl chloride?
3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl chloride has a molecular weight of 274.08 g/mol, XLogP of 3.82, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl chloride is sourced from PubChem (CID 2736581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).