2-(1-chloroethyl)-5-(2,6-dichlorophenyl)-1,3-oxazole

C11H8Cl3NO — CID 65180218

IUPAC2-(1-chloroethyl)-5-(2,6-dichlorophenyl)-1,3-oxazole
SMILESCC(Cl)c1ncc(-c2c(Cl)cccc2Cl)o1
InChIInChI=1S/C11H8Cl3NO/c1-6(12)11-15-5-9(16-11)10-7(13)3-2-4-8(10)14/h2-6H,1H3
InChIKeyKFQMIWQLHCXDCV-UHFFFAOYSA-N
MW276.55 g/mol
LogP4.95
Rot. Bonds2

About 2-(1-chloroethyl)-5-(2,6-dichlorophenyl)-1,3-oxazole

2-(1-chloroethyl)-5-(2,6-dichlorophenyl)-1,3-oxazole (PubChem CID 65180218) has the molecular formula C11H8Cl3NO and a molecular weight of 276.55 g/mol. Its IUPAC name is 2-(1-chloroethyl)-5-(2,6-dichlorophenyl)-1,3-oxazole.

Molecular Properties

Compound Name2-(1-chloroethyl)-5-(2,6-dichlorophenyl)-1,3-oxazole
PubChem CID65180218
Molecular FormulaC11H8Cl3NO
Molecular Weight276.55 g/mol
Exact Mass274.97
IUPAC Name2-(1-chloroethyl)-5-(2,6-dichlorophenyl)-1,3-oxazole
SMILESCC(Cl)c1ncc(-c2c(Cl)cccc2Cl)o1
InChIInChI=1S/C11H8Cl3NO/c1-6(12)11-15-5-9(16-11)10-7(13)3-2-4-8(10)14/h2-6H,1H3
InChIKeyKFQMIWQLHCXDCV-UHFFFAOYSA-N
XLogP4.95
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.55
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1-chloroethyl)-5-(2,6-dichlorophenyl)-1,3-oxazole?
The IUPAC name of 2-(1-chloroethyl)-5-(2,6-dichlorophenyl)-1,3-oxazole (CID 65180218) is 2-(1-chloroethyl)-5-(2,6-dichlorophenyl)-1,3-oxazole.
What is the SMILES notation for 2-(1-chloroethyl)-5-(2,6-dichlorophenyl)-1,3-oxazole?
The canonical SMILES for 2-(1-chloroethyl)-5-(2,6-dichlorophenyl)-1,3-oxazole is CC(Cl)c1ncc(-c2c(Cl)cccc2Cl)o1.
What is the InChIKey of 2-(1-chloroethyl)-5-(2,6-dichlorophenyl)-1,3-oxazole?
The InChIKey is KFQMIWQLHCXDCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl3NO/c1-6(12)11-15-5-9(16-11)10-7(13)3-2-4-8(10)14/h2-6H,1H3.
What are the key properties of 2-(1-chloroethyl)-5-(2,6-dichlorophenyl)-1,3-oxazole?
2-(1-chloroethyl)-5-(2,6-dichlorophenyl)-1,3-oxazole has a molecular weight of 276.55 g/mol, XLogP of 4.95, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-chloroethyl)-5-(2,6-dichlorophenyl)-1,3-oxazole is sourced from PubChem (CID 65180218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).