4-bromo-2-(2-chlorophenoxy)-1,3-oxazole

C9H5BrClNO2 — CID 117188870

IUPAC4-bromo-2-(2-chlorophenoxy)-1,3-oxazole
SMILESClc1ccccc1Oc1nc(Br)co1
InChIInChI=1S/C9H5BrClNO2/c10-8-5-13-9(12-8)14-7-4-2-1-3-6(7)11/h1-5H
InChIKeyKWPVIIRGFNRIAE-UHFFFAOYSA-N
MW274.50 g/mol
LogP3.88
Rot. Bonds2

About 4-bromo-2-(2-chlorophenoxy)-1,3-oxazole

4-bromo-2-(2-chlorophenoxy)-1,3-oxazole (PubChem CID 117188870) has the molecular formula C9H5BrClNO2 and a molecular weight of 274.50 g/mol. Its IUPAC name is 4-bromo-2-(2-chlorophenoxy)-1,3-oxazole.

Molecular Properties

Compound Name4-bromo-2-(2-chlorophenoxy)-1,3-oxazole
PubChem CID117188870
Molecular FormulaC9H5BrClNO2
Molecular Weight274.50 g/mol
Exact Mass272.92
IUPAC Name4-bromo-2-(2-chlorophenoxy)-1,3-oxazole
SMILESClc1ccccc1Oc1nc(Br)co1
InChIInChI=1S/C9H5BrClNO2/c10-8-5-13-9(12-8)14-7-4-2-1-3-6(7)11/h1-5H
InChIKeyKWPVIIRGFNRIAE-UHFFFAOYSA-N
XLogP3.88
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.50
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(2-chlorophenoxy)-1,3-oxazole?
The IUPAC name of 4-bromo-2-(2-chlorophenoxy)-1,3-oxazole (CID 117188870) is 4-bromo-2-(2-chlorophenoxy)-1,3-oxazole.
What is the SMILES notation for 4-bromo-2-(2-chlorophenoxy)-1,3-oxazole?
The canonical SMILES for 4-bromo-2-(2-chlorophenoxy)-1,3-oxazole is Clc1ccccc1Oc1nc(Br)co1.
What is the InChIKey of 4-bromo-2-(2-chlorophenoxy)-1,3-oxazole?
The InChIKey is KWPVIIRGFNRIAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5BrClNO2/c10-8-5-13-9(12-8)14-7-4-2-1-3-6(7)11/h1-5H.
What are the key properties of 4-bromo-2-(2-chlorophenoxy)-1,3-oxazole?
4-bromo-2-(2-chlorophenoxy)-1,3-oxazole has a molecular weight of 274.50 g/mol, XLogP of 3.88, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(2-chlorophenoxy)-1,3-oxazole is sourced from PubChem (CID 117188870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).