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

C11H10BrNO2 — CID 115087224

IUPAC2-[2-(2-bromophenyl)-1,3-oxazol-5-yl]ethanol
SMILESOCCc1cnc(-c2ccccc2Br)o1
InChIInChI=1S/C11H10BrNO2/c12-10-4-2-1-3-9(10)11-13-7-8(15-11)5-6-14/h1-4,7,14H,5-6H2
InChIKeyPSGGBKQCIVEVBS-UHFFFAOYSA-N
MW268.11 g/mol
LogP2.64
Rot. Bonds3

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

2-[2-(2-bromophenyl)-1,3-oxazol-5-yl]ethanol (PubChem CID 115087224) has the molecular formula C11H10BrNO2 and a molecular weight of 268.11 g/mol. Its IUPAC name is 2-[2-(2-bromophenyl)-1,3-oxazol-5-yl]ethanol.

Molecular Properties

Compound Name2-[2-(2-bromophenyl)-1,3-oxazol-5-yl]ethanol
PubChem CID115087224
Molecular FormulaC11H10BrNO2
Molecular Weight268.11 g/mol
Exact Mass266.99
IUPAC Name2-[2-(2-bromophenyl)-1,3-oxazol-5-yl]ethanol
SMILESOCCc1cnc(-c2ccccc2Br)o1
InChIInChI=1S/C11H10BrNO2/c12-10-4-2-1-3-9(10)11-13-7-8(15-11)5-6-14/h1-4,7,14H,5-6H2
InChIKeyPSGGBKQCIVEVBS-UHFFFAOYSA-N
XLogP2.64
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.11
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-bromophenyl)-1,3-oxazol-5-yl]ethanol?
The IUPAC name of 2-[2-(2-bromophenyl)-1,3-oxazol-5-yl]ethanol (CID 115087224) is 2-[2-(2-bromophenyl)-1,3-oxazol-5-yl]ethanol.
What is the SMILES notation for 2-[2-(2-bromophenyl)-1,3-oxazol-5-yl]ethanol?
The canonical SMILES for 2-[2-(2-bromophenyl)-1,3-oxazol-5-yl]ethanol is OCCc1cnc(-c2ccccc2Br)o1.
What is the InChIKey of 2-[2-(2-bromophenyl)-1,3-oxazol-5-yl]ethanol?
The InChIKey is PSGGBKQCIVEVBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrNO2/c12-10-4-2-1-3-9(10)11-13-7-8(15-11)5-6-14/h1-4,7,14H,5-6H2.
What are the key properties of 2-[2-(2-bromophenyl)-1,3-oxazol-5-yl]ethanol?
2-[2-(2-bromophenyl)-1,3-oxazol-5-yl]ethanol has a molecular weight of 268.11 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-bromophenyl)-1,3-oxazol-5-yl]ethanol is sourced from PubChem (CID 115087224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).