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

C11H9BrClNO2 — CID 83241618

IUPAC2-[3-(3-bromo-4-chlorophenyl)-1,2-oxazol-5-yl]ethanol
SMILESOCCc1cc(-c2ccc(Cl)c(Br)c2)no1
InChIInChI=1S/C11H9BrClNO2/c12-9-5-7(1-2-10(9)13)11-6-8(3-4-15)16-14-11/h1-2,5-6,15H,3-4H2
InChIKeyZPQDMIMBTBXRGE-UHFFFAOYSA-N
MW302.56 g/mol
LogP3.29
Rot. Bonds3

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

2-[3-(3-bromo-4-chlorophenyl)-1,2-oxazol-5-yl]ethanol (PubChem CID 83241618) has the molecular formula C11H9BrClNO2 and a molecular weight of 302.56 g/mol. Its IUPAC name is 2-[3-(3-bromo-4-chlorophenyl)-1,2-oxazol-5-yl]ethanol.

Molecular Properties

Compound Name2-[3-(3-bromo-4-chlorophenyl)-1,2-oxazol-5-yl]ethanol
PubChem CID83241618
Molecular FormulaC11H9BrClNO2
Molecular Weight302.56 g/mol
Exact Mass300.95
IUPAC Name2-[3-(3-bromo-4-chlorophenyl)-1,2-oxazol-5-yl]ethanol
SMILESOCCc1cc(-c2ccc(Cl)c(Br)c2)no1
InChIInChI=1S/C11H9BrClNO2/c12-9-5-7(1-2-10(9)13)11-6-8(3-4-15)16-14-11/h1-2,5-6,15H,3-4H2
InChIKeyZPQDMIMBTBXRGE-UHFFFAOYSA-N
XLogP3.29
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.56
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-bromo-4-chlorophenyl)-1,2-oxazol-5-yl]ethanol?
The IUPAC name of 2-[3-(3-bromo-4-chlorophenyl)-1,2-oxazol-5-yl]ethanol (CID 83241618) is 2-[3-(3-bromo-4-chlorophenyl)-1,2-oxazol-5-yl]ethanol.
What is the SMILES notation for 2-[3-(3-bromo-4-chlorophenyl)-1,2-oxazol-5-yl]ethanol?
The canonical SMILES for 2-[3-(3-bromo-4-chlorophenyl)-1,2-oxazol-5-yl]ethanol is OCCc1cc(-c2ccc(Cl)c(Br)c2)no1.
What is the InChIKey of 2-[3-(3-bromo-4-chlorophenyl)-1,2-oxazol-5-yl]ethanol?
The InChIKey is ZPQDMIMBTBXRGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrClNO2/c12-9-5-7(1-2-10(9)13)11-6-8(3-4-15)16-14-11/h1-2,5-6,15H,3-4H2.
What are the key properties of 2-[3-(3-bromo-4-chlorophenyl)-1,2-oxazol-5-yl]ethanol?
2-[3-(3-bromo-4-chlorophenyl)-1,2-oxazol-5-yl]ethanol has a molecular weight of 302.56 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-bromo-4-chlorophenyl)-1,2-oxazol-5-yl]ethanol is sourced from PubChem (CID 83241618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).