1-[3-(2-bromo-6-chlorophenyl)-1,2-oxazol-5-yl]ethanol

C11H9BrClNO2 — CID 166596851

IUPAC1-[3-(2-bromo-6-chlorophenyl)-1,2-oxazol-5-yl]ethanol
SMILESCC(O)c1cc(-c2c(Cl)cccc2Br)no1
InChIInChI=1S/C11H9BrClNO2/c1-6(15)10-5-9(14-16-10)11-7(12)3-2-4-8(11)13/h2-6,15H,1H3
InChIKeyCKMNQMFADZIHPG-UHFFFAOYSA-N
MW302.56 g/mol
LogP3.81
Rot. Bonds2

About 1-[3-(2-bromo-6-chlorophenyl)-1,2-oxazol-5-yl]ethanol

1-[3-(2-bromo-6-chlorophenyl)-1,2-oxazol-5-yl]ethanol (PubChem CID 166596851) has the molecular formula C11H9BrClNO2 and a molecular weight of 302.56 g/mol. Its IUPAC name is 1-[3-(2-bromo-6-chlorophenyl)-1,2-oxazol-5-yl]ethanol.

Molecular Properties

Compound Name1-[3-(2-bromo-6-chlorophenyl)-1,2-oxazol-5-yl]ethanol
PubChem CID166596851
Molecular FormulaC11H9BrClNO2
Molecular Weight302.56 g/mol
Exact Mass300.95
IUPAC Name1-[3-(2-bromo-6-chlorophenyl)-1,2-oxazol-5-yl]ethanol
SMILESCC(O)c1cc(-c2c(Cl)cccc2Br)no1
InChIInChI=1S/C11H9BrClNO2/c1-6(15)10-5-9(14-16-10)11-7(12)3-2-4-8(11)13/h2-6,15H,1H3
InChIKeyCKMNQMFADZIHPG-UHFFFAOYSA-N
XLogP3.81
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.56
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-bromo-6-chlorophenyl)-1,2-oxazol-5-yl]ethanol?
The IUPAC name of 1-[3-(2-bromo-6-chlorophenyl)-1,2-oxazol-5-yl]ethanol (CID 166596851) is 1-[3-(2-bromo-6-chlorophenyl)-1,2-oxazol-5-yl]ethanol.
What is the SMILES notation for 1-[3-(2-bromo-6-chlorophenyl)-1,2-oxazol-5-yl]ethanol?
The canonical SMILES for 1-[3-(2-bromo-6-chlorophenyl)-1,2-oxazol-5-yl]ethanol is CC(O)c1cc(-c2c(Cl)cccc2Br)no1.
What is the InChIKey of 1-[3-(2-bromo-6-chlorophenyl)-1,2-oxazol-5-yl]ethanol?
The InChIKey is CKMNQMFADZIHPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrClNO2/c1-6(15)10-5-9(14-16-10)11-7(12)3-2-4-8(11)13/h2-6,15H,1H3.
What are the key properties of 1-[3-(2-bromo-6-chlorophenyl)-1,2-oxazol-5-yl]ethanol?
1-[3-(2-bromo-6-chlorophenyl)-1,2-oxazol-5-yl]ethanol has a molecular weight of 302.56 g/mol, XLogP of 3.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-bromo-6-chlorophenyl)-1,2-oxazol-5-yl]ethanol is sourced from PubChem (CID 166596851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).