5-(2-bromo-6-methylphenyl)-2-(chloromethyl)-1,3-oxazole

C11H9BrClNO — CID 130624755

IUPAC5-(2-bromo-6-methylphenyl)-2-(chloromethyl)-1,3-oxazole
SMILESCc1cccc(Br)c1-c1cnc(CCl)o1
InChIInChI=1S/C11H9BrClNO/c1-7-3-2-4-8(12)11(7)9-6-14-10(5-13)15-9/h2-4,6H,5H2,1H3
InChIKeyAKEGGGGMMLYBGH-UHFFFAOYSA-N
MW286.56 g/mol
LogP4.15
Rot. Bonds2

About 5-(2-bromo-6-methylphenyl)-2-(chloromethyl)-1,3-oxazole

5-(2-bromo-6-methylphenyl)-2-(chloromethyl)-1,3-oxazole (PubChem CID 130624755) has the molecular formula C11H9BrClNO and a molecular weight of 286.56 g/mol. Its IUPAC name is 5-(2-bromo-6-methylphenyl)-2-(chloromethyl)-1,3-oxazole.

Molecular Properties

Compound Name5-(2-bromo-6-methylphenyl)-2-(chloromethyl)-1,3-oxazole
PubChem CID130624755
Molecular FormulaC11H9BrClNO
Molecular Weight286.56 g/mol
Exact Mass284.96
IUPAC Name5-(2-bromo-6-methylphenyl)-2-(chloromethyl)-1,3-oxazole
SMILESCc1cccc(Br)c1-c1cnc(CCl)o1
InChIInChI=1S/C11H9BrClNO/c1-7-3-2-4-8(12)11(7)9-6-14-10(5-13)15-9/h2-4,6H,5H2,1H3
InChIKeyAKEGGGGMMLYBGH-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'}

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Frequently Asked Questions

What is the IUPAC name of 5-(2-bromo-6-methylphenyl)-2-(chloromethyl)-1,3-oxazole?
The IUPAC name of 5-(2-bromo-6-methylphenyl)-2-(chloromethyl)-1,3-oxazole (CID 130624755) is 5-(2-bromo-6-methylphenyl)-2-(chloromethyl)-1,3-oxazole.
What is the SMILES notation for 5-(2-bromo-6-methylphenyl)-2-(chloromethyl)-1,3-oxazole?
The canonical SMILES for 5-(2-bromo-6-methylphenyl)-2-(chloromethyl)-1,3-oxazole is Cc1cccc(Br)c1-c1cnc(CCl)o1.
What is the InChIKey of 5-(2-bromo-6-methylphenyl)-2-(chloromethyl)-1,3-oxazole?
The InChIKey is AKEGGGGMMLYBGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrClNO/c1-7-3-2-4-8(12)11(7)9-6-14-10(5-13)15-9/h2-4,6H,5H2,1H3.
What are the key properties of 5-(2-bromo-6-methylphenyl)-2-(chloromethyl)-1,3-oxazole?
5-(2-bromo-6-methylphenyl)-2-(chloromethyl)-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 5-(2-bromo-6-methylphenyl)-2-(chloromethyl)-1,3-oxazole is sourced from PubChem (CID 130624755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).