2-(bromomethyl)-5-tert-butyl-1,3-oxazole

C8H12BrNO — CID 78961954

IUPAC2-(bromomethyl)-5-tert-butyl-1,3-oxazole
SMILESCC(C)(C)c1cnc(CBr)o1
InChIInChI=1S/C8H12BrNO/c1-8(2,3)6-5-10-7(4-9)11-6/h5H,4H2,1-3H3
InChIKeyUUGLYJOGUDPWFG-UHFFFAOYSA-N
MW218.09 g/mol
LogP2.87
Rot. Bonds1

About 2-(bromomethyl)-5-tert-butyl-1,3-oxazole

2-(bromomethyl)-5-tert-butyl-1,3-oxazole (PubChem CID 78961954) has the molecular formula C8H12BrNO and a molecular weight of 218.09 g/mol. Its IUPAC name is 2-(bromomethyl)-5-tert-butyl-1,3-oxazole.

Molecular Properties

Compound Name2-(bromomethyl)-5-tert-butyl-1,3-oxazole
PubChem CID78961954
Molecular FormulaC8H12BrNO
Molecular Weight218.09 g/mol
Exact Mass217.01
IUPAC Name2-(bromomethyl)-5-tert-butyl-1,3-oxazole
SMILESCC(C)(C)c1cnc(CBr)o1
InChIInChI=1S/C8H12BrNO/c1-8(2,3)6-5-10-7(4-9)11-6/h5H,4H2,1-3H3
InChIKeyUUGLYJOGUDPWFG-UHFFFAOYSA-N
XLogP2.87
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.09
LogP ≤ 52.87
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)-5-tert-butyl-1,3-oxazole?
The IUPAC name of 2-(bromomethyl)-5-tert-butyl-1,3-oxazole (CID 78961954) is 2-(bromomethyl)-5-tert-butyl-1,3-oxazole.
What is the SMILES notation for 2-(bromomethyl)-5-tert-butyl-1,3-oxazole?
The canonical SMILES for 2-(bromomethyl)-5-tert-butyl-1,3-oxazole is CC(C)(C)c1cnc(CBr)o1.
What is the InChIKey of 2-(bromomethyl)-5-tert-butyl-1,3-oxazole?
The InChIKey is UUGLYJOGUDPWFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12BrNO/c1-8(2,3)6-5-10-7(4-9)11-6/h5H,4H2,1-3H3.
What are the key properties of 2-(bromomethyl)-5-tert-butyl-1,3-oxazole?
2-(bromomethyl)-5-tert-butyl-1,3-oxazole has a molecular weight of 218.09 g/mol, XLogP of 2.87, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-5-tert-butyl-1,3-oxazole is sourced from PubChem (CID 78961954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).