3-(5-bromo-1-benzofuran-2-yl)-4H-1,2-oxazol-5-one

C11H6BrNO3 — CID 114763767

IUPAC3-(5-bromo-1-benzofuran-2-yl)-4H-1,2-oxazol-5-one
SMILESO=C1CC(c2cc3cc(Br)ccc3o2)=NO1
InChIInChI=1S/C11H6BrNO3/c12-7-1-2-9-6(3-7)4-10(15-9)8-5-11(14)16-13-8/h1-4H,5H2
InChIKeyNWQJFDPJXZGOTM-UHFFFAOYSA-N
MW280.08 g/mol
LogP2.85
Rot. Bonds1

About 3-(5-bromo-1-benzofuran-2-yl)-4H-1,2-oxazol-5-one

3-(5-bromo-1-benzofuran-2-yl)-4H-1,2-oxazol-5-one (PubChem CID 114763767) has the molecular formula C11H6BrNO3 and a molecular weight of 280.08 g/mol. Its IUPAC name is 3-(5-bromo-1-benzofuran-2-yl)-4H-1,2-oxazol-5-one.

Molecular Properties

Compound Name3-(5-bromo-1-benzofuran-2-yl)-4H-1,2-oxazol-5-one
PubChem CID114763767
Molecular FormulaC11H6BrNO3
Molecular Weight280.08 g/mol
Exact Mass278.95
IUPAC Name3-(5-bromo-1-benzofuran-2-yl)-4H-1,2-oxazol-5-one
SMILESO=C1CC(c2cc3cc(Br)ccc3o2)=NO1
InChIInChI=1S/C11H6BrNO3/c12-7-1-2-9-6(3-7)4-10(15-9)8-5-11(14)16-13-8/h1-4H,5H2
InChIKeyNWQJFDPJXZGOTM-UHFFFAOYSA-N
XLogP2.85
TPSA51.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.08
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'oxime_2', 'substructure': 'N/A'}

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Related Compounds

3-(5-bromo-1-benzofuran-2-yl)-1,4-dihydropyrazol-5-one
CID 114763722
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6-bromo-3-ethylchromen-2-one
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5-bromo-2-(4-nitrosophenyl)-1-benzofuran
CID 88578119
7-bromo-2-(7-bromobenzo[f][1]benzofuran-2-yl)benzo[f][1]benzofuran
CID 71108528
6-(5-bromo-1-benzofuran-2-yl)pyridin-3-amine
CID 115110800
6-bromo-3-propylchromen-2-one
CID 57275772
6-bromo-3-[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]chromen-2-one
CID 22310249
6-bromo-N-(4-bromophenyl)-2-oxochromene-3-carboxamide
CID 1111853
5-bromo-2-[2-(5-bromo-1-benzofuran-2-yl)ethenyl]-1-benzofuran
CID 70167024
5-bromo-2-[2-(5-bromo-1-benzofuran-2-yl)ethynyl]-1-benzofuran
CID 18624240
4-(5-bromo-1-benzofuran-2-yl)-N-methylpyrimidin-2-amine
CID 55222406

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-1-benzofuran-2-yl)-4H-1,2-oxazol-5-one?
The IUPAC name of 3-(5-bromo-1-benzofuran-2-yl)-4H-1,2-oxazol-5-one (CID 114763767) is 3-(5-bromo-1-benzofuran-2-yl)-4H-1,2-oxazol-5-one.
What is the SMILES notation for 3-(5-bromo-1-benzofuran-2-yl)-4H-1,2-oxazol-5-one?
The canonical SMILES for 3-(5-bromo-1-benzofuran-2-yl)-4H-1,2-oxazol-5-one is O=C1CC(c2cc3cc(Br)ccc3o2)=NO1.
What is the InChIKey of 3-(5-bromo-1-benzofuran-2-yl)-4H-1,2-oxazol-5-one?
The InChIKey is NWQJFDPJXZGOTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrNO3/c12-7-1-2-9-6(3-7)4-10(15-9)8-5-11(14)16-13-8/h1-4H,5H2.
What are the key properties of 3-(5-bromo-1-benzofuran-2-yl)-4H-1,2-oxazol-5-one?
3-(5-bromo-1-benzofuran-2-yl)-4H-1,2-oxazol-5-one has a molecular weight of 280.08 g/mol, XLogP of 2.85, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-1-benzofuran-2-yl)-4H-1,2-oxazol-5-one is sourced from PubChem (CID 114763767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).