1-[3-(2,4-dibromophenyl)-1,2-oxazol-5-yl]ethanol

C11H9Br2NO2 — CID 166596802

IUPAC1-[3-(2,4-dibromophenyl)-1,2-oxazol-5-yl]ethanol
SMILESCC(O)c1cc(-c2ccc(Br)cc2Br)no1
InChIInChI=1S/C11H9Br2NO2/c1-6(15)11-5-10(14-16-11)8-3-2-7(12)4-9(8)13/h2-6,15H,1H3
InChIKeyGZPQNFDOINOIHP-UHFFFAOYSA-N
MW347.01 g/mol
LogP3.92
Rot. Bonds2

About 1-[3-(2,4-dibromophenyl)-1,2-oxazol-5-yl]ethanol

1-[3-(2,4-dibromophenyl)-1,2-oxazol-5-yl]ethanol (PubChem CID 166596802) has the molecular formula C11H9Br2NO2 and a molecular weight of 347.01 g/mol. Its IUPAC name is 1-[3-(2,4-dibromophenyl)-1,2-oxazol-5-yl]ethanol.

Molecular Properties

Compound Name1-[3-(2,4-dibromophenyl)-1,2-oxazol-5-yl]ethanol
PubChem CID166596802
Molecular FormulaC11H9Br2NO2
Molecular Weight347.01 g/mol
Exact Mass344.90
IUPAC Name1-[3-(2,4-dibromophenyl)-1,2-oxazol-5-yl]ethanol
SMILESCC(O)c1cc(-c2ccc(Br)cc2Br)no1
InChIInChI=1S/C11H9Br2NO2/c1-6(15)11-5-10(14-16-11)8-3-2-7(12)4-9(8)13/h2-6,15H,1H3
InChIKeyGZPQNFDOINOIHP-UHFFFAOYSA-N
XLogP3.92
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.01
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(2-bromo-4-methylphenyl)-1,2-oxazol-5-yl]ethanol
CID 166596866
1-[3-(3-bromophenyl)-1,2-oxazol-5-yl]ethanol
CID 166596785
[3-(2,4-dibromophenyl)-1,2-oxazol-5-yl]methanol
CID 166596801
1-[3-(2-bromo-6-chlorophenyl)-1,2-oxazol-5-yl]ethanol
CID 166596851
3-(1-chloroethyl)-5-(2,4-dibromophenyl)-1,2,4-oxadiazole
CID 107939307
1-[3-(2-chloro-3-fluorophenyl)-1,2-oxazol-5-yl]ethanol
CID 166596817
1-[3-(2,3,5-trifluorophenyl)-1,2-oxazol-5-yl]ethanol
CID 166596962
(1S)-1-[3-(4-bromo-2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 103084135
1-[3-(2-cyclopropyl-4-pyridinyl)-1,2-oxazol-5-yl]ethanol
CID 166761070
1-[3-(5-bromo-2-fluorophenyl)-1,2-oxazol-5-yl]butan-1-amine
CID 114160485
1-[3-(3-cyclopentyloxy-4-methoxyphenyl)-1,2-oxazol-5-yl]ethanol
CID 118305351
3-(4-bromo-2-ethylphenyl)-1,2-oxazole-5-carboxylic acid
CID 117476922

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,4-dibromophenyl)-1,2-oxazol-5-yl]ethanol?
The IUPAC name of 1-[3-(2,4-dibromophenyl)-1,2-oxazol-5-yl]ethanol (CID 166596802) is 1-[3-(2,4-dibromophenyl)-1,2-oxazol-5-yl]ethanol.
What is the SMILES notation for 1-[3-(2,4-dibromophenyl)-1,2-oxazol-5-yl]ethanol?
The canonical SMILES for 1-[3-(2,4-dibromophenyl)-1,2-oxazol-5-yl]ethanol is CC(O)c1cc(-c2ccc(Br)cc2Br)no1.
What is the InChIKey of 1-[3-(2,4-dibromophenyl)-1,2-oxazol-5-yl]ethanol?
The InChIKey is GZPQNFDOINOIHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Br2NO2/c1-6(15)11-5-10(14-16-11)8-3-2-7(12)4-9(8)13/h2-6,15H,1H3.
What are the key properties of 1-[3-(2,4-dibromophenyl)-1,2-oxazol-5-yl]ethanol?
1-[3-(2,4-dibromophenyl)-1,2-oxazol-5-yl]ethanol has a molecular weight of 347.01 g/mol, XLogP of 3.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,4-dibromophenyl)-1,2-oxazol-5-yl]ethanol is sourced from PubChem (CID 166596802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).