2-(bromomethyl)-1,3-oxazole;hydrobromide

C4H5Br2NO — CID 135353377

IUPAC2-(bromomethyl)-1,3-oxazole;hydrobromide
SMILESBr.BrCc1ncco1
InChIInChI=1S/C4H4BrNO.BrH/c5-3-4-6-1-2-7-4;/h1-2H,3H2;1H
InChIKeyGIMXSSGTYVDTNY-UHFFFAOYSA-N
MW242.90 g/mol
LogP2.15
Rot. Bonds1

About 2-(bromomethyl)-1,3-oxazole;hydrobromide

2-(bromomethyl)-1,3-oxazole;hydrobromide (PubChem CID 135353377) has the molecular formula C4H5Br2NO and a molecular weight of 242.90 g/mol. Its IUPAC name is 2-(bromomethyl)-1,3-oxazole;hydrobromide.

Molecular Properties

Compound Name2-(bromomethyl)-1,3-oxazole;hydrobromide
PubChem CID135353377
Molecular FormulaC4H5Br2NO
Molecular Weight242.90 g/mol
Exact Mass240.87
IUPAC Name2-(bromomethyl)-1,3-oxazole;hydrobromide
SMILESBr.BrCc1ncco1
InChIInChI=1S/C4H4BrNO.BrH/c5-3-4-6-1-2-7-4;/h1-2H,3H2;1H
InChIKeyGIMXSSGTYVDTNY-UHFFFAOYSA-N
XLogP2.15
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.90
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(bromomethyl)-1,3-oxazole;hydrobromide?
The IUPAC name of 2-(bromomethyl)-1,3-oxazole;hydrobromide (CID 135353377) is 2-(bromomethyl)-1,3-oxazole;hydrobromide.
What is the SMILES notation for 2-(bromomethyl)-1,3-oxazole;hydrobromide?
The canonical SMILES for 2-(bromomethyl)-1,3-oxazole;hydrobromide is Br.BrCc1ncco1.
What is the InChIKey of 2-(bromomethyl)-1,3-oxazole;hydrobromide?
The InChIKey is GIMXSSGTYVDTNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4BrNO.BrH/c5-3-4-6-1-2-7-4;/h1-2H,3H2;1H.
What are the key properties of 2-(bromomethyl)-1,3-oxazole;hydrobromide?
2-(bromomethyl)-1,3-oxazole;hydrobromide has a molecular weight of 242.90 g/mol, XLogP of 2.15, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-1,3-oxazole;hydrobromide is sourced from PubChem (CID 135353377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).