5-methyl-3-[(2,4,6-tribromophenoxy)methyl]-1,2-oxazole

C11H8Br3NO2 — CID 112797269

IUPAC5-methyl-3-[(2,4,6-tribromophenoxy)methyl]-1,2-oxazole
SMILESCc1cc(COc2c(Br)cc(Br)cc2Br)no1
InChIInChI=1S/C11H8Br3NO2/c1-6-2-8(15-17-6)5-16-11-9(13)3-7(12)4-10(11)14/h2-4H,5H2,1H3
InChIKeyVMRACJLEPXIKHE-UHFFFAOYSA-N
MW425.90 g/mol
LogP4.85
Rot. Bonds3

About 5-methyl-3-[(2,4,6-tribromophenoxy)methyl]-1,2-oxazole

5-methyl-3-[(2,4,6-tribromophenoxy)methyl]-1,2-oxazole (PubChem CID 112797269) has the molecular formula C11H8Br3NO2 and a molecular weight of 425.90 g/mol. Its IUPAC name is 5-methyl-3-[(2,4,6-tribromophenoxy)methyl]-1,2-oxazole.

Molecular Properties

Compound Name5-methyl-3-[(2,4,6-tribromophenoxy)methyl]-1,2-oxazole
PubChem CID112797269
Molecular FormulaC11H8Br3NO2
Molecular Weight425.90 g/mol
Exact Mass422.81
IUPAC Name5-methyl-3-[(2,4,6-tribromophenoxy)methyl]-1,2-oxazole
SMILESCc1cc(COc2c(Br)cc(Br)cc2Br)no1
InChIInChI=1S/C11H8Br3NO2/c1-6-2-8(15-17-6)5-16-11-9(13)3-7(12)4-10(11)14/h2-4H,5H2,1H3
InChIKeyVMRACJLEPXIKHE-UHFFFAOYSA-N
XLogP4.85
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.90
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[(2,4,6-tribromophenoxy)methyl]-1,2-oxazole?
The IUPAC name of 5-methyl-3-[(2,4,6-tribromophenoxy)methyl]-1,2-oxazole (CID 112797269) is 5-methyl-3-[(2,4,6-tribromophenoxy)methyl]-1,2-oxazole.
What is the SMILES notation for 5-methyl-3-[(2,4,6-tribromophenoxy)methyl]-1,2-oxazole?
The canonical SMILES for 5-methyl-3-[(2,4,6-tribromophenoxy)methyl]-1,2-oxazole is Cc1cc(COc2c(Br)cc(Br)cc2Br)no1.
What is the InChIKey of 5-methyl-3-[(2,4,6-tribromophenoxy)methyl]-1,2-oxazole?
The InChIKey is VMRACJLEPXIKHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Br3NO2/c1-6-2-8(15-17-6)5-16-11-9(13)3-7(12)4-10(11)14/h2-4H,5H2,1H3.
What are the key properties of 5-methyl-3-[(2,4,6-tribromophenoxy)methyl]-1,2-oxazole?
5-methyl-3-[(2,4,6-tribromophenoxy)methyl]-1,2-oxazole has a molecular weight of 425.90 g/mol, XLogP of 4.85, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[(2,4,6-tribromophenoxy)methyl]-1,2-oxazole is sourced from PubChem (CID 112797269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).