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

C10H6BrCl2NO — CID 107991092

IUPAC2-(2-bromo-4-chlorophenyl)-4-(chloromethyl)-1,3-oxazole
SMILESClCc1coc(-c2ccc(Cl)cc2Br)n1
InChIInChI=1S/C10H6BrCl2NO/c11-9-3-6(13)1-2-8(9)10-14-7(4-12)5-15-10/h1-3,5H,4H2
InChIKeyCWCFZQLKJVARMP-UHFFFAOYSA-N
MW306.97 g/mol
LogP4.50
Rot. Bonds2

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

2-(2-bromo-4-chlorophenyl)-4-(chloromethyl)-1,3-oxazole (PubChem CID 107991092) has the molecular formula C10H6BrCl2NO and a molecular weight of 306.97 g/mol. Its IUPAC name is 2-(2-bromo-4-chlorophenyl)-4-(chloromethyl)-1,3-oxazole.

Molecular Properties

Compound Name2-(2-bromo-4-chlorophenyl)-4-(chloromethyl)-1,3-oxazole
PubChem CID107991092
Molecular FormulaC10H6BrCl2NO
Molecular Weight306.97 g/mol
Exact Mass304.90
IUPAC Name2-(2-bromo-4-chlorophenyl)-4-(chloromethyl)-1,3-oxazole
SMILESClCc1coc(-c2ccc(Cl)cc2Br)n1
InChIInChI=1S/C10H6BrCl2NO/c11-9-3-6(13)1-2-8(9)10-14-7(4-12)5-15-10/h1-3,5H,4H2
InChIKeyCWCFZQLKJVARMP-UHFFFAOYSA-N
XLogP4.50
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.97
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(chloromethyl)-2-(2-chloro-4-methylphenyl)-1,3-oxazole
CID 106862629
2-(5-bromo-2-methylphenyl)-4-(chloromethyl)-1,3-oxazole
CID 65311925
2-(9-bromophenazin-1-yl)-4-(chloromethyl)-1,3-oxazole
CID 174979883
[2-(4-bromo-2-chlorophenyl)-1,3-oxazol-4-yl]methanamine
CID 65289102
2-[2-(5-chloro-2-fluorophenyl)-1,3-oxazol-4-yl]ethanamine
CID 82477362
5-(2-bromo-4-chlorophenyl)-1,2,4-oxadiazol-3-amine
CID 107992789
4-(chloromethyl)-2-(9-chlorophenazin-1-yl)-1,3-oxazole
CID 174979017
4-(chloromethyl)-2-(3-chlorothiophen-2-yl)-1,3-oxazole
CID 22009585
2-(2,4-dichlorophenyl)-4-(imidazol-1-ylmethyl)-1,3-oxazole
CID 15925546
4-(chloromethyl)-2-(15-chloro-10-methyl-2,4,10,11-tetrazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,8,11,14,16-heptaen-5-yl)-1,3-oxazole
CID 170951373
1-[5-(2-bromo-4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 107992694
1-[5-(2-bromo-4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 107989163

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-chlorophenyl)-4-(chloromethyl)-1,3-oxazole?
The IUPAC name of 2-(2-bromo-4-chlorophenyl)-4-(chloromethyl)-1,3-oxazole (CID 107991092) is 2-(2-bromo-4-chlorophenyl)-4-(chloromethyl)-1,3-oxazole.
What is the SMILES notation for 2-(2-bromo-4-chlorophenyl)-4-(chloromethyl)-1,3-oxazole?
The canonical SMILES for 2-(2-bromo-4-chlorophenyl)-4-(chloromethyl)-1,3-oxazole is ClCc1coc(-c2ccc(Cl)cc2Br)n1.
What is the InChIKey of 2-(2-bromo-4-chlorophenyl)-4-(chloromethyl)-1,3-oxazole?
The InChIKey is CWCFZQLKJVARMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrCl2NO/c11-9-3-6(13)1-2-8(9)10-14-7(4-12)5-15-10/h1-3,5H,4H2.
What are the key properties of 2-(2-bromo-4-chlorophenyl)-4-(chloromethyl)-1,3-oxazole?
2-(2-bromo-4-chlorophenyl)-4-(chloromethyl)-1,3-oxazole has a molecular weight of 306.97 g/mol, XLogP of 4.50, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-chlorophenyl)-4-(chloromethyl)-1,3-oxazole is sourced from PubChem (CID 107991092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).