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

C11H11BrFNO — CID 22044766

IUPAC2-(4-bromo-2-fluorophenyl)-4,4-dimethyl-5H-1,3-oxazole
SMILESCC1(C)COC(c2ccc(Br)cc2F)=N1
InChIInChI=1S/C11H11BrFNO/c1-11(2)6-15-10(14-11)8-4-3-7(12)5-9(8)13/h3-5H,6H2,1-2H3
InChIKeyKMYQGNGQYFUEJI-UHFFFAOYSA-N
MW272.12 g/mol
LogP3.14
Rot. Bonds1

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

2-(4-bromo-2-fluorophenyl)-4,4-dimethyl-5H-1,3-oxazole (PubChem CID 22044766) has the molecular formula C11H11BrFNO and a molecular weight of 272.12 g/mol. Its IUPAC name is 2-(4-bromo-2-fluorophenyl)-4,4-dimethyl-5H-1,3-oxazole.

Molecular Properties

Compound Name2-(4-bromo-2-fluorophenyl)-4,4-dimethyl-5H-1,3-oxazole
PubChem CID22044766
Molecular FormulaC11H11BrFNO
Molecular Weight272.12 g/mol
Exact Mass271.00
IUPAC Name2-(4-bromo-2-fluorophenyl)-4,4-dimethyl-5H-1,3-oxazole
SMILESCC1(C)COC(c2ccc(Br)cc2F)=N1
InChIInChI=1S/C11H11BrFNO/c1-11(2)6-15-10(14-11)8-4-3-7(12)5-9(8)13/h3-5H,6H2,1-2H3
InChIKeyKMYQGNGQYFUEJI-UHFFFAOYSA-N
XLogP3.14
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.12
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-fluorophenyl)-4,4-dimethyl-5H-1,3-oxazole?
The IUPAC name of 2-(4-bromo-2-fluorophenyl)-4,4-dimethyl-5H-1,3-oxazole (CID 22044766) is 2-(4-bromo-2-fluorophenyl)-4,4-dimethyl-5H-1,3-oxazole.
What is the SMILES notation for 2-(4-bromo-2-fluorophenyl)-4,4-dimethyl-5H-1,3-oxazole?
The canonical SMILES for 2-(4-bromo-2-fluorophenyl)-4,4-dimethyl-5H-1,3-oxazole is CC1(C)COC(c2ccc(Br)cc2F)=N1.
What is the InChIKey of 2-(4-bromo-2-fluorophenyl)-4,4-dimethyl-5H-1,3-oxazole?
The InChIKey is KMYQGNGQYFUEJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrFNO/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-fluorophenyl)-4,4-dimethyl-5H-1,3-oxazole?
2-(4-bromo-2-fluorophenyl)-4,4-dimethyl-5H-1,3-oxazole has a molecular weight of 272.12 g/mol, XLogP of 3.14, 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-fluorophenyl)-4,4-dimethyl-5H-1,3-oxazole is sourced from PubChem (CID 22044766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).