3-(2,6-dichlorophenyl)-5-ethyl-4,5-dihydro-1,2-oxazole

C11H11Cl2NO — CID 89056701

IUPAC3-(2,6-dichlorophenyl)-5-ethyl-4,5-dihydro-1,2-oxazole
SMILESCCC1CC(c2c(Cl)cccc2Cl)=NO1
InChIInChI=1S/C11H11Cl2NO/c1-2-7-6-10(14-15-7)11-8(12)4-3-5-9(11)13/h3-5,7H,2,6H2,1H3
InChIKeyOWEJPUYOCFPJQK-UHFFFAOYSA-N
MW244.12 g/mol
LogP3.90
Rot. Bonds2

About 3-(2,6-dichlorophenyl)-5-ethyl-4,5-dihydro-1,2-oxazole

3-(2,6-dichlorophenyl)-5-ethyl-4,5-dihydro-1,2-oxazole (PubChem CID 89056701) has the molecular formula C11H11Cl2NO and a molecular weight of 244.12 g/mol. Its IUPAC name is 3-(2,6-dichlorophenyl)-5-ethyl-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name3-(2,6-dichlorophenyl)-5-ethyl-4,5-dihydro-1,2-oxazole
PubChem CID89056701
Molecular FormulaC11H11Cl2NO
Molecular Weight244.12 g/mol
Exact Mass243.02
IUPAC Name3-(2,6-dichlorophenyl)-5-ethyl-4,5-dihydro-1,2-oxazole
SMILESCCC1CC(c2c(Cl)cccc2Cl)=NO1
InChIInChI=1S/C11H11Cl2NO/c1-2-7-6-10(14-15-7)11-8(12)4-3-5-9(11)13/h3-5,7H,2,6H2,1H3
InChIKeyOWEJPUYOCFPJQK-UHFFFAOYSA-N
XLogP3.90
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.12
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dichlorophenyl)-5-ethyl-4,5-dihydro-1,2-oxazole?
The IUPAC name of 3-(2,6-dichlorophenyl)-5-ethyl-4,5-dihydro-1,2-oxazole (CID 89056701) is 3-(2,6-dichlorophenyl)-5-ethyl-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for 3-(2,6-dichlorophenyl)-5-ethyl-4,5-dihydro-1,2-oxazole?
The canonical SMILES for 3-(2,6-dichlorophenyl)-5-ethyl-4,5-dihydro-1,2-oxazole is CCC1CC(c2c(Cl)cccc2Cl)=NO1.
What is the InChIKey of 3-(2,6-dichlorophenyl)-5-ethyl-4,5-dihydro-1,2-oxazole?
The InChIKey is OWEJPUYOCFPJQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2NO/c1-2-7-6-10(14-15-7)11-8(12)4-3-5-9(11)13/h3-5,7H,2,6H2,1H3.
What are the key properties of 3-(2,6-dichlorophenyl)-5-ethyl-4,5-dihydro-1,2-oxazole?
3-(2,6-dichlorophenyl)-5-ethyl-4,5-dihydro-1,2-oxazole has a molecular weight of 244.12 g/mol, XLogP of 3.90, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dichlorophenyl)-5-ethyl-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 89056701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).