3-(2,2-dichloroethenyl)-5-phenyl-1,2-oxazole

C11H7Cl2NO — CID 682277

IUPAC3-(2,2-dichloroethenyl)-5-phenyl-1,2-oxazole
SMILESClC(Cl)=Cc1cc(-c2ccccc2)on1
InChIInChI=1S/C11H7Cl2NO/c12-11(13)7-9-6-10(15-14-9)8-4-2-1-3-5-8/h1-7H
InChIKeyUHKQVZNOJCRPQW-UHFFFAOYSA-N
MW240.09 g/mol
LogP4.12
Rot. Bonds2

About 3-(2,2-dichloroethenyl)-5-phenyl-1,2-oxazole

3-(2,2-dichloroethenyl)-5-phenyl-1,2-oxazole (PubChem CID 682277) has the molecular formula C11H7Cl2NO and a molecular weight of 240.09 g/mol. Its IUPAC name is 3-(2,2-dichloroethenyl)-5-phenyl-1,2-oxazole.

Molecular Properties

Compound Name3-(2,2-dichloroethenyl)-5-phenyl-1,2-oxazole
PubChem CID682277
Molecular FormulaC11H7Cl2NO
Molecular Weight240.09 g/mol
Exact Mass238.99
IUPAC Name3-(2,2-dichloroethenyl)-5-phenyl-1,2-oxazole
SMILESClC(Cl)=Cc1cc(-c2ccccc2)on1
InChIInChI=1S/C11H7Cl2NO/c12-11(13)7-9-6-10(15-14-9)8-4-2-1-3-5-8/h1-7H
InChIKeyUHKQVZNOJCRPQW-UHFFFAOYSA-N
XLogP4.12
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.09
LogP ≤ 54.12
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)-5-phenyl-1,2-oxazole?
The IUPAC name of 3-(2,2-dichloroethenyl)-5-phenyl-1,2-oxazole (CID 682277) is 3-(2,2-dichloroethenyl)-5-phenyl-1,2-oxazole.
What is the SMILES notation for 3-(2,2-dichloroethenyl)-5-phenyl-1,2-oxazole?
The canonical SMILES for 3-(2,2-dichloroethenyl)-5-phenyl-1,2-oxazole is ClC(Cl)=Cc1cc(-c2ccccc2)on1.
What is the InChIKey of 3-(2,2-dichloroethenyl)-5-phenyl-1,2-oxazole?
The InChIKey is UHKQVZNOJCRPQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl2NO/c12-11(13)7-9-6-10(15-14-9)8-4-2-1-3-5-8/h1-7H.
What are the key properties of 3-(2,2-dichloroethenyl)-5-phenyl-1,2-oxazole?
3-(2,2-dichloroethenyl)-5-phenyl-1,2-oxazole has a molecular weight of 240.09 g/mol, XLogP of 4.12, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dichloroethenyl)-5-phenyl-1,2-oxazole is sourced from PubChem (CID 682277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).