5-(5-bromo-2-chlorophenyl)-2-(1-chloroethyl)-1,3-oxazole

C11H8BrCl2NO — CID 65179702

IUPAC5-(5-bromo-2-chlorophenyl)-2-(1-chloroethyl)-1,3-oxazole
SMILESCC(Cl)c1ncc(-c2cc(Br)ccc2Cl)o1
InChIInChI=1S/C11H8BrCl2NO/c1-6(13)11-15-5-10(16-11)8-4-7(12)2-3-9(8)14/h2-6H,1H3
InChIKeyDEIXVEQRVBMAKZ-UHFFFAOYSA-N
MW321.00 g/mol
LogP5.06
Rot. Bonds2

About 5-(5-bromo-2-chlorophenyl)-2-(1-chloroethyl)-1,3-oxazole

5-(5-bromo-2-chlorophenyl)-2-(1-chloroethyl)-1,3-oxazole (PubChem CID 65179702) has the molecular formula C11H8BrCl2NO and a molecular weight of 321.00 g/mol. Its IUPAC name is 5-(5-bromo-2-chlorophenyl)-2-(1-chloroethyl)-1,3-oxazole.

Molecular Properties

Compound Name5-(5-bromo-2-chlorophenyl)-2-(1-chloroethyl)-1,3-oxazole
PubChem CID65179702
Molecular FormulaC11H8BrCl2NO
Molecular Weight321.00 g/mol
Exact Mass318.92
IUPAC Name5-(5-bromo-2-chlorophenyl)-2-(1-chloroethyl)-1,3-oxazole
SMILESCC(Cl)c1ncc(-c2cc(Br)ccc2Cl)o1
InChIInChI=1S/C11H8BrCl2NO/c1-6(13)11-15-5-10(16-11)8-4-7(12)2-3-9(8)14/h2-6H,1H3
InChIKeyDEIXVEQRVBMAKZ-UHFFFAOYSA-N
XLogP5.06
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.00
LogP ≤ 55.06
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 5-(5-bromo-2-chlorophenyl)-2-(1-chloroethyl)-1,3-oxazole?
The IUPAC name of 5-(5-bromo-2-chlorophenyl)-2-(1-chloroethyl)-1,3-oxazole (CID 65179702) is 5-(5-bromo-2-chlorophenyl)-2-(1-chloroethyl)-1,3-oxazole.
What is the SMILES notation for 5-(5-bromo-2-chlorophenyl)-2-(1-chloroethyl)-1,3-oxazole?
The canonical SMILES for 5-(5-bromo-2-chlorophenyl)-2-(1-chloroethyl)-1,3-oxazole is CC(Cl)c1ncc(-c2cc(Br)ccc2Cl)o1.
What is the InChIKey of 5-(5-bromo-2-chlorophenyl)-2-(1-chloroethyl)-1,3-oxazole?
The InChIKey is DEIXVEQRVBMAKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrCl2NO/c1-6(13)11-15-5-10(16-11)8-4-7(12)2-3-9(8)14/h2-6H,1H3.
What are the key properties of 5-(5-bromo-2-chlorophenyl)-2-(1-chloroethyl)-1,3-oxazole?
5-(5-bromo-2-chlorophenyl)-2-(1-chloroethyl)-1,3-oxazole has a molecular weight of 321.00 g/mol, XLogP of 5.06, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-bromo-2-chlorophenyl)-2-(1-chloroethyl)-1,3-oxazole is sourced from PubChem (CID 65179702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).