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

C11H9Cl2NO — CID 43144205

IUPAC2-(chloromethyl)-5-(4-chlorophenyl)-4-methyl-1,3-oxazole
SMILESCc1nc(CCl)oc1-c1ccc(Cl)cc1
InChIInChI=1S/C11H9Cl2NO/c1-7-11(15-10(6-12)14-7)8-2-4-9(13)5-3-8/h2-5H,6H2,1H3
InChIKeyRDYSXEWAVCFZBK-UHFFFAOYSA-N
MW242.10 g/mol
LogP4.04
Rot. Bonds2

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

2-(chloromethyl)-5-(4-chlorophenyl)-4-methyl-1,3-oxazole (PubChem CID 43144205) has the molecular formula C11H9Cl2NO and a molecular weight of 242.10 g/mol. Its IUPAC name is 2-(chloromethyl)-5-(4-chlorophenyl)-4-methyl-1,3-oxazole.

Molecular Properties

Compound Name2-(chloromethyl)-5-(4-chlorophenyl)-4-methyl-1,3-oxazole
PubChem CID43144205
Molecular FormulaC11H9Cl2NO
Molecular Weight242.10 g/mol
Exact Mass241.01
IUPAC Name2-(chloromethyl)-5-(4-chlorophenyl)-4-methyl-1,3-oxazole
SMILESCc1nc(CCl)oc1-c1ccc(Cl)cc1
InChIInChI=1S/C11H9Cl2NO/c1-7-11(15-10(6-12)14-7)8-2-4-9(13)5-3-8/h2-5H,6H2,1H3
InChIKeyRDYSXEWAVCFZBK-UHFFFAOYSA-N
XLogP4.04
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.10
LogP ≤ 54.04
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 2-(chloromethyl)-5-(4-chlorophenyl)-4-methyl-1,3-oxazole?
The IUPAC name of 2-(chloromethyl)-5-(4-chlorophenyl)-4-methyl-1,3-oxazole (CID 43144205) is 2-(chloromethyl)-5-(4-chlorophenyl)-4-methyl-1,3-oxazole.
What is the SMILES notation for 2-(chloromethyl)-5-(4-chlorophenyl)-4-methyl-1,3-oxazole?
The canonical SMILES for 2-(chloromethyl)-5-(4-chlorophenyl)-4-methyl-1,3-oxazole is Cc1nc(CCl)oc1-c1ccc(Cl)cc1.
What is the InChIKey of 2-(chloromethyl)-5-(4-chlorophenyl)-4-methyl-1,3-oxazole?
The InChIKey is RDYSXEWAVCFZBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2NO/c1-7-11(15-10(6-12)14-7)8-2-4-9(13)5-3-8/h2-5H,6H2,1H3.
What are the key properties of 2-(chloromethyl)-5-(4-chlorophenyl)-4-methyl-1,3-oxazole?
2-(chloromethyl)-5-(4-chlorophenyl)-4-methyl-1,3-oxazole has a molecular weight of 242.10 g/mol, XLogP of 4.04, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-5-(4-chlorophenyl)-4-methyl-1,3-oxazole is sourced from PubChem (CID 43144205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).