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

C11H11BrFNO2 — CID 140933897

IUPAC3-(4-bromo-3-fluorophenyl)-5,5-dimethyl-4H-1,2-oxazol-4-ol
SMILESCC1(C)ON=C(c2ccc(Br)c(F)c2)C1O
InChIInChI=1S/C11H11BrFNO2/c1-11(2)10(15)9(14-16-11)6-3-4-7(12)8(13)5-6/h3-5,10,15H,1-2H3
InChIKeyGMWZKAPLOSCHPT-UHFFFAOYSA-N
MW288.12 g/mol
LogP2.46
Rot. Bonds1

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

3-(4-bromo-3-fluorophenyl)-5,5-dimethyl-4H-1,2-oxazol-4-ol (PubChem CID 140933897) has the molecular formula C11H11BrFNO2 and a molecular weight of 288.12 g/mol. Its IUPAC name is 3-(4-bromo-3-fluorophenyl)-5,5-dimethyl-4H-1,2-oxazol-4-ol.

Molecular Properties

Compound Name3-(4-bromo-3-fluorophenyl)-5,5-dimethyl-4H-1,2-oxazol-4-ol
PubChem CID140933897
Molecular FormulaC11H11BrFNO2
Molecular Weight288.12 g/mol
Exact Mass287.00
IUPAC Name3-(4-bromo-3-fluorophenyl)-5,5-dimethyl-4H-1,2-oxazol-4-ol
SMILESCC1(C)ON=C(c2ccc(Br)c(F)c2)C1O
InChIInChI=1S/C11H11BrFNO2/c1-11(2)10(15)9(14-16-11)6-3-4-7(12)8(13)5-6/h3-5,10,15H,1-2H3
InChIKeyGMWZKAPLOSCHPT-UHFFFAOYSA-N
XLogP2.46
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.12
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-3-fluorophenyl)-5,5-dimethyl-4H-1,2-oxazol-4-ol?
The IUPAC name of 3-(4-bromo-3-fluorophenyl)-5,5-dimethyl-4H-1,2-oxazol-4-ol (CID 140933897) is 3-(4-bromo-3-fluorophenyl)-5,5-dimethyl-4H-1,2-oxazol-4-ol.
What is the SMILES notation for 3-(4-bromo-3-fluorophenyl)-5,5-dimethyl-4H-1,2-oxazol-4-ol?
The canonical SMILES for 3-(4-bromo-3-fluorophenyl)-5,5-dimethyl-4H-1,2-oxazol-4-ol is CC1(C)ON=C(c2ccc(Br)c(F)c2)C1O.
What is the InChIKey of 3-(4-bromo-3-fluorophenyl)-5,5-dimethyl-4H-1,2-oxazol-4-ol?
The InChIKey is GMWZKAPLOSCHPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrFNO2/c1-11(2)10(15)9(14-16-11)6-3-4-7(12)8(13)5-6/h3-5,10,15H,1-2H3.
What are the key properties of 3-(4-bromo-3-fluorophenyl)-5,5-dimethyl-4H-1,2-oxazol-4-ol?
3-(4-bromo-3-fluorophenyl)-5,5-dimethyl-4H-1,2-oxazol-4-ol has a molecular weight of 288.12 g/mol, XLogP of 2.46, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-3-fluorophenyl)-5,5-dimethyl-4H-1,2-oxazol-4-ol is sourced from PubChem (CID 140933897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).