2-(4-bromo-2-iodophenyl)-4,4-dimethyl-5H-1,3-oxazole

C11H11BrINO — CID 125484151

IUPAC2-(4-bromo-2-iodophenyl)-4,4-dimethyl-5H-1,3-oxazole
SMILESCC1(C)COC(c2ccc(Br)cc2I)=N1
InChIInChI=1S/C11H11BrINO/c1-11(2)6-15-10(14-11)8-4-3-7(12)5-9(8)13/h3-5H,6H2,1-2H3
InChIKeyHSWSVOSUEWPULW-UHFFFAOYSA-N
MW380.02 g/mol
LogP3.61
Rot. Bonds1

About 2-(4-bromo-2-iodophenyl)-4,4-dimethyl-5H-1,3-oxazole

2-(4-bromo-2-iodophenyl)-4,4-dimethyl-5H-1,3-oxazole (PubChem CID 125484151) has the molecular formula C11H11BrINO and a molecular weight of 380.02 g/mol. Its IUPAC name is 2-(4-bromo-2-iodophenyl)-4,4-dimethyl-5H-1,3-oxazole.

Molecular Properties

Compound Name2-(4-bromo-2-iodophenyl)-4,4-dimethyl-5H-1,3-oxazole
PubChem CID125484151
Molecular FormulaC11H11BrINO
Molecular Weight380.02 g/mol
Exact Mass378.91
IUPAC Name2-(4-bromo-2-iodophenyl)-4,4-dimethyl-5H-1,3-oxazole
SMILESCC1(C)COC(c2ccc(Br)cc2I)=N1
InChIInChI=1S/C11H11BrINO/c1-11(2)6-15-10(14-11)8-4-3-7(12)5-9(8)13/h3-5H,6H2,1-2H3
InChIKeyHSWSVOSUEWPULW-UHFFFAOYSA-N
XLogP3.61
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.02
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-iodophenyl)-4,4-dimethyl-5H-1,3-oxazole?
The IUPAC name of 2-(4-bromo-2-iodophenyl)-4,4-dimethyl-5H-1,3-oxazole (CID 125484151) is 2-(4-bromo-2-iodophenyl)-4,4-dimethyl-5H-1,3-oxazole.
What is the SMILES notation for 2-(4-bromo-2-iodophenyl)-4,4-dimethyl-5H-1,3-oxazole?
The canonical SMILES for 2-(4-bromo-2-iodophenyl)-4,4-dimethyl-5H-1,3-oxazole is CC1(C)COC(c2ccc(Br)cc2I)=N1.
What is the InChIKey of 2-(4-bromo-2-iodophenyl)-4,4-dimethyl-5H-1,3-oxazole?
The InChIKey is HSWSVOSUEWPULW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrINO/c1-11(2)6-15-10(14-11)8-4-3-7(12)5-9(8)13/h3-5H,6H2,1-2H3.
What are the key properties of 2-(4-bromo-2-iodophenyl)-4,4-dimethyl-5H-1,3-oxazole?
2-(4-bromo-2-iodophenyl)-4,4-dimethyl-5H-1,3-oxazole has a molecular weight of 380.02 g/mol, XLogP of 3.61, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-iodophenyl)-4,4-dimethyl-5H-1,3-oxazole is sourced from PubChem (CID 125484151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).