2-(1,3-oxazol-2-yl)acetyl bromide

C5H4BrNO2 — CID 21163737

IUPAC2-(1,3-oxazol-2-yl)acetyl bromide
SMILESO=C(Br)Cc1ncco1
InChIInChI=1S/C5H4BrNO2/c6-4(8)3-5-7-1-2-9-5/h1-2H,3H2
InChIKeyYCBNTYSJRRULPC-UHFFFAOYSA-N
MW190.00 g/mol
LogP1.14
Rot. Bonds2

About 2-(1,3-oxazol-2-yl)acetyl bromide

2-(1,3-oxazol-2-yl)acetyl bromide (PubChem CID 21163737) has the molecular formula C5H4BrNO2 and a molecular weight of 190.00 g/mol. Its IUPAC name is 2-(1,3-oxazol-2-yl)acetyl bromide.

Molecular Properties

Compound Name2-(1,3-oxazol-2-yl)acetyl bromide
PubChem CID21163737
Molecular FormulaC5H4BrNO2
Molecular Weight190.00 g/mol
Exact Mass188.94
IUPAC Name2-(1,3-oxazol-2-yl)acetyl bromide
SMILESO=C(Br)Cc1ncco1
InChIInChI=1S/C5H4BrNO2/c6-4(8)3-5-7-1-2-9-5/h1-2H,3H2
InChIKeyYCBNTYSJRRULPC-UHFFFAOYSA-N
XLogP1.14
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.00
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-oxazol-2-yl)acetyl bromide?
The IUPAC name of 2-(1,3-oxazol-2-yl)acetyl bromide (CID 21163737) is 2-(1,3-oxazol-2-yl)acetyl bromide.
What is the SMILES notation for 2-(1,3-oxazol-2-yl)acetyl bromide?
The canonical SMILES for 2-(1,3-oxazol-2-yl)acetyl bromide is O=C(Br)Cc1ncco1.
What is the InChIKey of 2-(1,3-oxazol-2-yl)acetyl bromide?
The InChIKey is YCBNTYSJRRULPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4BrNO2/c6-4(8)3-5-7-1-2-9-5/h1-2H,3H2.
What are the key properties of 2-(1,3-oxazol-2-yl)acetyl bromide?
2-(1,3-oxazol-2-yl)acetyl bromide has a molecular weight of 190.00 g/mol, XLogP of 1.14, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-oxazol-2-yl)acetyl bromide is sourced from PubChem (CID 21163737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).