4-bromo-2-(bromomethyl)-1,3-oxazole

C4H3Br2NO — CID 69164978

IUPAC4-bromo-2-(bromomethyl)-1,3-oxazole
SMILESBrCc1nc(Br)co1
InChIInChI=1S/C4H3Br2NO/c5-1-4-7-3(6)2-8-4/h2H,1H2
InChIKeyUMPVTJRADPNSMD-UHFFFAOYSA-N
MW240.88 g/mol
LogP2.33
Rot. Bonds1

About 4-bromo-2-(bromomethyl)-1,3-oxazole

4-bromo-2-(bromomethyl)-1,3-oxazole (PubChem CID 69164978) has the molecular formula C4H3Br2NO and a molecular weight of 240.88 g/mol. Its IUPAC name is 4-bromo-2-(bromomethyl)-1,3-oxazole.

Molecular Properties

Compound Name4-bromo-2-(bromomethyl)-1,3-oxazole
PubChem CID69164978
Molecular FormulaC4H3Br2NO
Molecular Weight240.88 g/mol
Exact Mass238.86
IUPAC Name4-bromo-2-(bromomethyl)-1,3-oxazole
SMILESBrCc1nc(Br)co1
InChIInChI=1S/C4H3Br2NO/c5-1-4-7-3(6)2-8-4/h2H,1H2
InChIKeyUMPVTJRADPNSMD-UHFFFAOYSA-N
XLogP2.33
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.88
LogP ≤ 52.33
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 4-bromo-2-(bromomethyl)-1,3-oxazole?
The IUPAC name of 4-bromo-2-(bromomethyl)-1,3-oxazole (CID 69164978) is 4-bromo-2-(bromomethyl)-1,3-oxazole.
What is the SMILES notation for 4-bromo-2-(bromomethyl)-1,3-oxazole?
The canonical SMILES for 4-bromo-2-(bromomethyl)-1,3-oxazole is BrCc1nc(Br)co1.
What is the InChIKey of 4-bromo-2-(bromomethyl)-1,3-oxazole?
The InChIKey is UMPVTJRADPNSMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3Br2NO/c5-1-4-7-3(6)2-8-4/h2H,1H2.
What are the key properties of 4-bromo-2-(bromomethyl)-1,3-oxazole?
4-bromo-2-(bromomethyl)-1,3-oxazole has a molecular weight of 240.88 g/mol, XLogP of 2.33, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(bromomethyl)-1,3-oxazole is sourced from PubChem (CID 69164978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).