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

C12H12BrNO2 — CID 166596866

IUPAC1-[3-(2-bromo-4-methylphenyl)-1,2-oxazol-5-yl]ethanol
SMILESCc1ccc(-c2cc(C(C)O)on2)c(Br)c1
InChIInChI=1S/C12H12BrNO2/c1-7-3-4-9(10(13)5-7)11-6-12(8(2)15)16-14-11/h3-6,8,15H,1-2H3
InChIKeyVBBSBKNRLIJSBO-UHFFFAOYSA-N
MW282.14 g/mol
LogP3.47
Rot. Bonds2

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

1-[3-(2-bromo-4-methylphenyl)-1,2-oxazol-5-yl]ethanol (PubChem CID 166596866) has the molecular formula C12H12BrNO2 and a molecular weight of 282.14 g/mol. Its IUPAC name is 1-[3-(2-bromo-4-methylphenyl)-1,2-oxazol-5-yl]ethanol.

Molecular Properties

Compound Name1-[3-(2-bromo-4-methylphenyl)-1,2-oxazol-5-yl]ethanol
PubChem CID166596866
Molecular FormulaC12H12BrNO2
Molecular Weight282.14 g/mol
Exact Mass281.01
IUPAC Name1-[3-(2-bromo-4-methylphenyl)-1,2-oxazol-5-yl]ethanol
SMILESCc1ccc(-c2cc(C(C)O)on2)c(Br)c1
InChIInChI=1S/C12H12BrNO2/c1-7-3-4-9(10(13)5-7)11-6-12(8(2)15)16-14-11/h3-6,8,15H,1-2H3
InChIKeyVBBSBKNRLIJSBO-UHFFFAOYSA-N
XLogP3.47
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.14
LogP ≤ 53.47
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-4-methylphenyl)-1,2-oxazol-5-yl]ethanol?
The IUPAC name of 1-[3-(2-bromo-4-methylphenyl)-1,2-oxazol-5-yl]ethanol (CID 166596866) is 1-[3-(2-bromo-4-methylphenyl)-1,2-oxazol-5-yl]ethanol.
What is the SMILES notation for 1-[3-(2-bromo-4-methylphenyl)-1,2-oxazol-5-yl]ethanol?
The canonical SMILES for 1-[3-(2-bromo-4-methylphenyl)-1,2-oxazol-5-yl]ethanol is Cc1ccc(-c2cc(C(C)O)on2)c(Br)c1.
What is the InChIKey of 1-[3-(2-bromo-4-methylphenyl)-1,2-oxazol-5-yl]ethanol?
The InChIKey is VBBSBKNRLIJSBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrNO2/c1-7-3-4-9(10(13)5-7)11-6-12(8(2)15)16-14-11/h3-6,8,15H,1-2H3.
What are the key properties of 1-[3-(2-bromo-4-methylphenyl)-1,2-oxazol-5-yl]ethanol?
1-[3-(2-bromo-4-methylphenyl)-1,2-oxazol-5-yl]ethanol has a molecular weight of 282.14 g/mol, XLogP of 3.47, 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-4-methylphenyl)-1,2-oxazol-5-yl]ethanol is sourced from PubChem (CID 166596866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).