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

C9H5BrClNO — CID 84709526

IUPAC5-bromo-3-(2-chlorophenyl)-1,2-oxazole
SMILESClc1ccccc1-c1cc(Br)on1
InChIInChI=1S/C9H5BrClNO/c10-9-5-8(12-13-9)6-3-1-2-4-7(6)11/h1-5H
InChIKeyPBNZVZOQUNVZPY-UHFFFAOYSA-N
MW258.50 g/mol
LogP3.76
Rot. Bonds1

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

5-bromo-3-(2-chlorophenyl)-1,2-oxazole (PubChem CID 84709526) has the molecular formula C9H5BrClNO and a molecular weight of 258.50 g/mol. Its IUPAC name is 5-bromo-3-(2-chlorophenyl)-1,2-oxazole.

Molecular Properties

Compound Name5-bromo-3-(2-chlorophenyl)-1,2-oxazole
PubChem CID84709526
Molecular FormulaC9H5BrClNO
Molecular Weight258.50 g/mol
Exact Mass256.92
IUPAC Name5-bromo-3-(2-chlorophenyl)-1,2-oxazole
SMILESClc1ccccc1-c1cc(Br)on1
InChIInChI=1S/C9H5BrClNO/c10-9-5-8(12-13-9)6-3-1-2-4-7(6)11/h1-5H
InChIKeyPBNZVZOQUNVZPY-UHFFFAOYSA-N
XLogP3.76
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.50
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(2-chlorophenyl)-1,2-oxazole?
The IUPAC name of 5-bromo-3-(2-chlorophenyl)-1,2-oxazole (CID 84709526) is 5-bromo-3-(2-chlorophenyl)-1,2-oxazole.
What is the SMILES notation for 5-bromo-3-(2-chlorophenyl)-1,2-oxazole?
The canonical SMILES for 5-bromo-3-(2-chlorophenyl)-1,2-oxazole is Clc1ccccc1-c1cc(Br)on1.
What is the InChIKey of 5-bromo-3-(2-chlorophenyl)-1,2-oxazole?
The InChIKey is PBNZVZOQUNVZPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5BrClNO/c10-9-5-8(12-13-9)6-3-1-2-4-7(6)11/h1-5H.
What are the key properties of 5-bromo-3-(2-chlorophenyl)-1,2-oxazole?
5-bromo-3-(2-chlorophenyl)-1,2-oxazole has a molecular weight of 258.50 g/mol, XLogP of 3.76, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(2-chlorophenyl)-1,2-oxazole is sourced from PubChem (CID 84709526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).