2-(2-bromophenyl)-4-(chloromethyl)-5-methyl-1,3-oxazole

C11H9BrClNO — CID 53403506

IUPAC2-(2-bromophenyl)-4-(chloromethyl)-5-methyl-1,3-oxazole
SMILESCc1oc(-c2ccccc2Br)nc1CCl
InChIInChI=1S/C11H9BrClNO/c1-7-10(6-13)14-11(15-7)8-4-2-3-5-9(8)12/h2-5H,6H2,1H3
InChIKeyAJHNGSWJLXGOQE-UHFFFAOYSA-N
MW286.56 g/mol
LogP4.15
Rot. Bonds2

About 2-(2-bromophenyl)-4-(chloromethyl)-5-methyl-1,3-oxazole

2-(2-bromophenyl)-4-(chloromethyl)-5-methyl-1,3-oxazole (PubChem CID 53403506) has the molecular formula C11H9BrClNO and a molecular weight of 286.56 g/mol. Its IUPAC name is 2-(2-bromophenyl)-4-(chloromethyl)-5-methyl-1,3-oxazole.

Molecular Properties

Compound Name2-(2-bromophenyl)-4-(chloromethyl)-5-methyl-1,3-oxazole
PubChem CID53403506
Molecular FormulaC11H9BrClNO
Molecular Weight286.56 g/mol
Exact Mass284.96
IUPAC Name2-(2-bromophenyl)-4-(chloromethyl)-5-methyl-1,3-oxazole
SMILESCc1oc(-c2ccccc2Br)nc1CCl
InChIInChI=1S/C11H9BrClNO/c1-7-10(6-13)14-11(15-7)8-4-2-3-5-9(8)12/h2-5H,6H2,1H3
InChIKeyAJHNGSWJLXGOQE-UHFFFAOYSA-N
XLogP4.15
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.56
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(2-bromophenyl)-4-(chloromethyl)-5-methyl-1,3-oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-4-(chloromethyl)-5-methyl-1,3-oxazole?
The IUPAC name of 2-(2-bromophenyl)-4-(chloromethyl)-5-methyl-1,3-oxazole (CID 53403506) is 2-(2-bromophenyl)-4-(chloromethyl)-5-methyl-1,3-oxazole.
What is the SMILES notation for 2-(2-bromophenyl)-4-(chloromethyl)-5-methyl-1,3-oxazole?
The canonical SMILES for 2-(2-bromophenyl)-4-(chloromethyl)-5-methyl-1,3-oxazole is Cc1oc(-c2ccccc2Br)nc1CCl.
What is the InChIKey of 2-(2-bromophenyl)-4-(chloromethyl)-5-methyl-1,3-oxazole?
The InChIKey is AJHNGSWJLXGOQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrClNO/c1-7-10(6-13)14-11(15-7)8-4-2-3-5-9(8)12/h2-5H,6H2,1H3.
What are the key properties of 2-(2-bromophenyl)-4-(chloromethyl)-5-methyl-1,3-oxazole?
2-(2-bromophenyl)-4-(chloromethyl)-5-methyl-1,3-oxazole has a molecular weight of 286.56 g/mol, XLogP of 4.15, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-4-(chloromethyl)-5-methyl-1,3-oxazole is sourced from PubChem (CID 53403506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).