3-(2,2-dichloroethenyl)-1,2-oxazole

C5H3Cl2NO — CID 14687246

IUPAC3-(2,2-dichloroethenyl)-1,2-oxazole
SMILESClC(Cl)=Cc1ccon1
InChIInChI=1S/C5H3Cl2NO/c6-5(7)3-4-1-2-9-8-4/h1-3H
InChIKeyHVEDZFZKKNKCSM-UHFFFAOYSA-N
MW163.99 g/mol
LogP2.45
Rot. Bonds1

About 3-(2,2-dichloroethenyl)-1,2-oxazole

3-(2,2-dichloroethenyl)-1,2-oxazole (PubChem CID 14687246) has the molecular formula C5H3Cl2NO and a molecular weight of 163.99 g/mol. Its IUPAC name is 3-(2,2-dichloroethenyl)-1,2-oxazole.

Molecular Properties

Compound Name3-(2,2-dichloroethenyl)-1,2-oxazole
PubChem CID14687246
Molecular FormulaC5H3Cl2NO
Molecular Weight163.99 g/mol
Exact Mass162.96
IUPAC Name3-(2,2-dichloroethenyl)-1,2-oxazole
SMILESClC(Cl)=Cc1ccon1
InChIInChI=1S/C5H3Cl2NO/c6-5(7)3-4-1-2-9-8-4/h1-3H
InChIKeyHVEDZFZKKNKCSM-UHFFFAOYSA-N
XLogP2.45
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.99
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dichloroethenyl)-1,2-oxazole?
The IUPAC name of 3-(2,2-dichloroethenyl)-1,2-oxazole (CID 14687246) is 3-(2,2-dichloroethenyl)-1,2-oxazole.
What is the SMILES notation for 3-(2,2-dichloroethenyl)-1,2-oxazole?
The canonical SMILES for 3-(2,2-dichloroethenyl)-1,2-oxazole is ClC(Cl)=Cc1ccon1.
What is the InChIKey of 3-(2,2-dichloroethenyl)-1,2-oxazole?
The InChIKey is HVEDZFZKKNKCSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3Cl2NO/c6-5(7)3-4-1-2-9-8-4/h1-3H.
What are the key properties of 3-(2,2-dichloroethenyl)-1,2-oxazole?
3-(2,2-dichloroethenyl)-1,2-oxazole has a molecular weight of 163.99 g/mol, XLogP of 2.45, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dichloroethenyl)-1,2-oxazole is sourced from PubChem (CID 14687246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).