carbonyl dichloride;3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole

C11H7Cl4NO2 — CID 21394179

IUPACcarbonyl dichloride;3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole
SMILESCc1cc(-c2c(Cl)cccc2Cl)no1.O=C(Cl)Cl
InChIInChI=1S/C10H7Cl2NO.CCl2O/c1-6-5-9(13-14-6)10-7(11)3-2-4-8(10)12;2-1(3)4/h2-5H,1H3;
InChIKeyCRQPRMXXURKKSW-UHFFFAOYSA-N
MW326.99 g/mol
LogP5.54
Rot. Bonds1

About carbonyl dichloride;3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole

carbonyl dichloride;3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole (PubChem CID 21394179) has the molecular formula C11H7Cl4NO2 and a molecular weight of 326.99 g/mol. Its IUPAC name is carbonyl dichloride;3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole.

Molecular Properties

Compound Namecarbonyl dichloride;3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole
PubChem CID21394179
Molecular FormulaC11H7Cl4NO2
Molecular Weight326.99 g/mol
Exact Mass324.92
IUPAC Namecarbonyl dichloride;3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole
SMILESCc1cc(-c2c(Cl)cccc2Cl)no1.O=C(Cl)Cl
InChIInChI=1S/C10H7Cl2NO.CCl2O/c1-6-5-9(13-14-6)10-7(11)3-2-4-8(10)12;2-1(3)4/h2-5H,1H3;
InChIKeyCRQPRMXXURKKSW-UHFFFAOYSA-N
XLogP5.54
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.99
LogP ≤ 55.54
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

1-[3-(2-chloro-6-fluorophenyl)-1,2-oxazol-5-yl]ethanone
CID 14814686
3-(2-chlorophenyl)-5-methyl-1,2-oxazole;ethane
CID 143409135
2-[4-[3-(2,6-dichlorophenyl)-1,2-oxazol-5-yl]phenoxy]acetic acid
CID 90675654
5-(benzenesulfonyl)-3-(2,6-dichlorophenyl)-1,2-oxazole
CID 24874346
5-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-3-carboxylic acid
CID 91966328
3-(6-chloro-2,3-dimethylphenyl)-1,2-oxazole-5-carboxylic acid
CID 117382472
1-[3-(2-bromo-6-chlorophenyl)-1,2-oxazol-5-yl]ethanol
CID 166596851
2-(2,6-dichloro-N-methylsulfonylanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 113156975
N-[(2S)-2-(2,6-dichlorophenyl)-2-hydroxyethyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 97069382
N-(3-chlorophenyl)-N'-(5-methyl-1,2-oxazol-3-yl)oxamide
CID 47204376
[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-phenylmethanone
CID 2805168
N-[3-[3-(2,6-dichlorophenyl)-1,2-oxazol-5-yl]phenyl]-2-methyl-4-phenylpyrimidine-5-carboxamide
CID 70687226

Frequently Asked Questions

What is the IUPAC name of carbonyl dichloride;3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole?
The IUPAC name of carbonyl dichloride;3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole (CID 21394179) is carbonyl dichloride;3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole.
What is the SMILES notation for carbonyl dichloride;3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole?
The canonical SMILES for carbonyl dichloride;3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole is Cc1cc(-c2c(Cl)cccc2Cl)no1.O=C(Cl)Cl.
What is the InChIKey of carbonyl dichloride;3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole?
The InChIKey is CRQPRMXXURKKSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl2NO.CCl2O/c1-6-5-9(13-14-6)10-7(11)3-2-4-8(10)12;2-1(3)4/h2-5H,1H3;.
What are the key properties of carbonyl dichloride;3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole?
carbonyl dichloride;3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole has a molecular weight of 326.99 g/mol, XLogP of 5.54, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbonyl dichloride;3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole is sourced from PubChem (CID 21394179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).