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

C10H7Cl2NO — CID 7131527

IUPAC4-(chloromethyl)-2-(4-chlorophenyl)-1,3-oxazole
SMILESClCc1coc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C10H7Cl2NO/c11-5-9-6-14-10(13-9)7-1-3-8(12)4-2-7/h1-4,6H,5H2
InChIKeyBGGPUCCJQGIJRL-UHFFFAOYSA-N
MW228.08 g/mol
LogP3.73
Rot. Bonds2

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

4-(chloromethyl)-2-(4-chlorophenyl)-1,3-oxazole (PubChem CID 7131527) has the molecular formula C10H7Cl2NO and a molecular weight of 228.08 g/mol. Its IUPAC name is 4-(chloromethyl)-2-(4-chlorophenyl)-1,3-oxazole.

Molecular Properties

Compound Name4-(chloromethyl)-2-(4-chlorophenyl)-1,3-oxazole
PubChem CID7131527
Molecular FormulaC10H7Cl2NO
Molecular Weight228.08 g/mol
Exact Mass226.99
IUPAC Name4-(chloromethyl)-2-(4-chlorophenyl)-1,3-oxazole
SMILESClCc1coc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C10H7Cl2NO/c11-5-9-6-14-10(13-9)7-1-3-8(12)4-2-7/h1-4,6H,5H2
InChIKeyBGGPUCCJQGIJRL-UHFFFAOYSA-N
XLogP3.73
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.08
LogP ≤ 53.73
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 4-(chloromethyl)-2-(4-chlorophenyl)-1,3-oxazole?
The IUPAC name of 4-(chloromethyl)-2-(4-chlorophenyl)-1,3-oxazole (CID 7131527) is 4-(chloromethyl)-2-(4-chlorophenyl)-1,3-oxazole.
What is the SMILES notation for 4-(chloromethyl)-2-(4-chlorophenyl)-1,3-oxazole?
The canonical SMILES for 4-(chloromethyl)-2-(4-chlorophenyl)-1,3-oxazole is ClCc1coc(-c2ccc(Cl)cc2)n1.
What is the InChIKey of 4-(chloromethyl)-2-(4-chlorophenyl)-1,3-oxazole?
The InChIKey is BGGPUCCJQGIJRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl2NO/c11-5-9-6-14-10(13-9)7-1-3-8(12)4-2-7/h1-4,6H,5H2.
What are the key properties of 4-(chloromethyl)-2-(4-chlorophenyl)-1,3-oxazole?
4-(chloromethyl)-2-(4-chlorophenyl)-1,3-oxazole has a molecular weight of 228.08 g/mol, XLogP of 3.73, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-2-(4-chlorophenyl)-1,3-oxazole is sourced from PubChem (CID 7131527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).