1-[3-(2,4-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]ethanone

C12H9Cl2NO2 — CID 2745589

IUPAC1-[3-(2,4-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]ethanone
SMILESCC(=O)c1c(-c2ccc(Cl)cc2Cl)noc1C
InChIInChI=1S/C12H9Cl2NO2/c1-6(16)11-7(2)17-15-12(11)9-4-3-8(13)5-10(9)14/h3-5H,1-2H3
InChIKeyNPCSVHWOVWPJOV-UHFFFAOYSA-N
MW270.12 g/mol
LogP4.16
Rot. Bonds2

About 1-[3-(2,4-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]ethanone

1-[3-(2,4-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]ethanone (PubChem CID 2745589) has the molecular formula C12H9Cl2NO2 and a molecular weight of 270.12 g/mol. Its IUPAC name is 1-[3-(2,4-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[3-(2,4-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]ethanone
PubChem CID2745589
Molecular FormulaC12H9Cl2NO2
Molecular Weight270.12 g/mol
Exact Mass269.00
IUPAC Name1-[3-(2,4-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]ethanone
SMILESCC(=O)c1c(-c2ccc(Cl)cc2Cl)noc1C
InChIInChI=1S/C12H9Cl2NO2/c1-6(16)11-7(2)17-15-12(11)9-4-3-8(13)5-10(9)14/h3-5H,1-2H3
InChIKeyNPCSVHWOVWPJOV-UHFFFAOYSA-N
XLogP4.16
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.12
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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-(p-Chlorophenyl)-5-phenylisoxazole
CID 279128
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
3-(2-Chloro-6-fluorophenyl)-5-methylisoxazole-4-carbonyl chloride
CID 2736581
N-[5-Methyl-3-O-tolyl-isoxazole-4-carboxylic acid amide] boronic acid
CID 2815
[3-(2-Chloro-phenyl)-5-methyl-isoxazol-4-yl]-piperidin-1-yl-methanone
CID 700029
Methanone, (3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolyl)phenyl-
CID 2805168
[3-(2,6-Dichloro-phenyl)-5-methyl-isoxazol-4-yl]-piperidin-1-yl-methanone
CID 743794

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,4-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]ethanone?
The IUPAC name of 1-[3-(2,4-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]ethanone (CID 2745589) is 1-[3-(2,4-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]ethanone.
What is the SMILES notation for 1-[3-(2,4-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]ethanone?
The canonical SMILES for 1-[3-(2,4-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]ethanone is CC(=O)c1c(-c2ccc(Cl)cc2Cl)noc1C.
What is the InChIKey of 1-[3-(2,4-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]ethanone?
The InChIKey is NPCSVHWOVWPJOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2NO2/c1-6(16)11-7(2)17-15-12(11)9-4-3-8(13)5-10(9)14/h3-5H,1-2H3.
What are the key properties of 1-[3-(2,4-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]ethanone?
1-[3-(2,4-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]ethanone has a molecular weight of 270.12 g/mol, XLogP of 4.16, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,4-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]ethanone is sourced from PubChem (CID 2745589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).