3-(4-bromo-2-chlorophenyl)-1,2-oxazole-4-carbaldehyde

C10H5BrClNO2 — CID 132588607

IUPAC3-(4-bromo-2-chlorophenyl)-1,2-oxazole-4-carbaldehyde
SMILESO=Cc1conc1-c1ccc(Br)cc1Cl
InChIInChI=1S/C10H5BrClNO2/c11-7-1-2-8(9(12)3-7)10-6(4-14)5-15-13-10/h1-5H
InChIKeyHBZMZRBYWIFLMJ-UHFFFAOYSA-N
MW286.51 g/mol
LogP3.57
Rot. Bonds2

About 3-(4-bromo-2-chlorophenyl)-1,2-oxazole-4-carbaldehyde

3-(4-bromo-2-chlorophenyl)-1,2-oxazole-4-carbaldehyde (PubChem CID 132588607) has the molecular formula C10H5BrClNO2 and a molecular weight of 286.51 g/mol. Its IUPAC name is 3-(4-bromo-2-chlorophenyl)-1,2-oxazole-4-carbaldehyde.

Molecular Properties

Compound Name3-(4-bromo-2-chlorophenyl)-1,2-oxazole-4-carbaldehyde
PubChem CID132588607
Molecular FormulaC10H5BrClNO2
Molecular Weight286.51 g/mol
Exact Mass284.92
IUPAC Name3-(4-bromo-2-chlorophenyl)-1,2-oxazole-4-carbaldehyde
SMILESO=Cc1conc1-c1ccc(Br)cc1Cl
InChIInChI=1S/C10H5BrClNO2/c11-7-1-2-8(9(12)3-7)10-6(4-14)5-15-13-10/h1-5H
InChIKeyHBZMZRBYWIFLMJ-UHFFFAOYSA-N
XLogP3.57
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.51
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-2-chlorophenyl)-1,2-oxazole-4-carbaldehyde?
The IUPAC name of 3-(4-bromo-2-chlorophenyl)-1,2-oxazole-4-carbaldehyde (CID 132588607) is 3-(4-bromo-2-chlorophenyl)-1,2-oxazole-4-carbaldehyde.
What is the SMILES notation for 3-(4-bromo-2-chlorophenyl)-1,2-oxazole-4-carbaldehyde?
The canonical SMILES for 3-(4-bromo-2-chlorophenyl)-1,2-oxazole-4-carbaldehyde is O=Cc1conc1-c1ccc(Br)cc1Cl.
What is the InChIKey of 3-(4-bromo-2-chlorophenyl)-1,2-oxazole-4-carbaldehyde?
The InChIKey is HBZMZRBYWIFLMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5BrClNO2/c11-7-1-2-8(9(12)3-7)10-6(4-14)5-15-13-10/h1-5H.
What are the key properties of 3-(4-bromo-2-chlorophenyl)-1,2-oxazole-4-carbaldehyde?
3-(4-bromo-2-chlorophenyl)-1,2-oxazole-4-carbaldehyde has a molecular weight of 286.51 g/mol, XLogP of 3.57, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-2-chlorophenyl)-1,2-oxazole-4-carbaldehyde is sourced from PubChem (CID 132588607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).