2-bromo-1-(5-phenyl-2,5-dihydro-1,2-oxazol-3-yl)ethanone

C11H10BrNO2 — CID 91144733

IUPAC2-bromo-1-(5-phenyl-2,5-dihydro-1,2-oxazol-3-yl)ethanone
SMILESO=C(CBr)C1=CC(c2ccccc2)ON1
InChIInChI=1S/C11H10BrNO2/c12-7-10(14)9-6-11(15-13-9)8-4-2-1-3-5-8/h1-6,11,13H,7H2
InChIKeyMRENCVAMPNULFE-UHFFFAOYSA-N
MW268.11 g/mol
LogP2.11
Rot. Bonds3

About 2-bromo-1-(5-phenyl-2,5-dihydro-1,2-oxazol-3-yl)ethanone

2-bromo-1-(5-phenyl-2,5-dihydro-1,2-oxazol-3-yl)ethanone (PubChem CID 91144733) has the molecular formula C11H10BrNO2 and a molecular weight of 268.11 g/mol. Its IUPAC name is 2-bromo-1-(5-phenyl-2,5-dihydro-1,2-oxazol-3-yl)ethanone.

Molecular Properties

Compound Name2-bromo-1-(5-phenyl-2,5-dihydro-1,2-oxazol-3-yl)ethanone
PubChem CID91144733
Molecular FormulaC11H10BrNO2
Molecular Weight268.11 g/mol
Exact Mass266.99
IUPAC Name2-bromo-1-(5-phenyl-2,5-dihydro-1,2-oxazol-3-yl)ethanone
SMILESO=C(CBr)C1=CC(c2ccccc2)ON1
InChIInChI=1S/C11H10BrNO2/c12-7-10(14)9-6-11(15-13-9)8-4-2-1-3-5-8/h1-6,11,13H,7H2
InChIKeyMRENCVAMPNULFE-UHFFFAOYSA-N
XLogP2.11
TPSA38.33 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 ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-(5-phenyl-2,5-dihydro-1,2-oxazol-3-yl)ethanone?
The IUPAC name of 2-bromo-1-(5-phenyl-2,5-dihydro-1,2-oxazol-3-yl)ethanone (CID 91144733) is 2-bromo-1-(5-phenyl-2,5-dihydro-1,2-oxazol-3-yl)ethanone.
What is the SMILES notation for 2-bromo-1-(5-phenyl-2,5-dihydro-1,2-oxazol-3-yl)ethanone?
The canonical SMILES for 2-bromo-1-(5-phenyl-2,5-dihydro-1,2-oxazol-3-yl)ethanone is O=C(CBr)C1=CC(c2ccccc2)ON1.
What is the InChIKey of 2-bromo-1-(5-phenyl-2,5-dihydro-1,2-oxazol-3-yl)ethanone?
The InChIKey is MRENCVAMPNULFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrNO2/c12-7-10(14)9-6-11(15-13-9)8-4-2-1-3-5-8/h1-6,11,13H,7H2.
What are the key properties of 2-bromo-1-(5-phenyl-2,5-dihydro-1,2-oxazol-3-yl)ethanone?
2-bromo-1-(5-phenyl-2,5-dihydro-1,2-oxazol-3-yl)ethanone has a molecular weight of 268.11 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-(5-phenyl-2,5-dihydro-1,2-oxazol-3-yl)ethanone is sourced from PubChem (CID 91144733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).