2-bromo-5-(trifluoromethyl)-1,3-oxazole;hydrochloride

C4H2BrClF3NO — CID 155943886

IUPAC2-bromo-5-(trifluoromethyl)-1,3-oxazole;hydrochloride
SMILESCl.FC(F)(F)c1cnc(Br)o1
InChIInChI=1S/C4HBrF3NO.ClH/c5-3-9-1-2(10-3)4(6,7)8;/h1H;1H
InChIKeyOQYQMCXRRUVEIU-UHFFFAOYSA-N
MW252.42 g/mol
LogP2.88
Rot. Bonds

About 2-bromo-5-(trifluoromethyl)-1,3-oxazole;hydrochloride

2-bromo-5-(trifluoromethyl)-1,3-oxazole;hydrochloride (PubChem CID 155943886) has the molecular formula C4H2BrClF3NO and a molecular weight of 252.42 g/mol. Its IUPAC name is 2-bromo-5-(trifluoromethyl)-1,3-oxazole;hydrochloride.

Molecular Properties

Compound Name2-bromo-5-(trifluoromethyl)-1,3-oxazole;hydrochloride
PubChem CID155943886
Molecular FormulaC4H2BrClF3NO
Molecular Weight252.42 g/mol
Exact Mass250.90
IUPAC Name2-bromo-5-(trifluoromethyl)-1,3-oxazole;hydrochloride
SMILESCl.FC(F)(F)c1cnc(Br)o1
InChIInChI=1S/C4HBrF3NO.ClH/c5-3-9-1-2(10-3)4(6,7)8;/h1H;1H
InChIKeyOQYQMCXRRUVEIU-UHFFFAOYSA-N
XLogP2.88
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.42
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(trifluoromethyl)-1,3-oxazole;hydrochloride?
The IUPAC name of 2-bromo-5-(trifluoromethyl)-1,3-oxazole;hydrochloride (CID 155943886) is 2-bromo-5-(trifluoromethyl)-1,3-oxazole;hydrochloride.
What is the SMILES notation for 2-bromo-5-(trifluoromethyl)-1,3-oxazole;hydrochloride?
The canonical SMILES for 2-bromo-5-(trifluoromethyl)-1,3-oxazole;hydrochloride is Cl.FC(F)(F)c1cnc(Br)o1.
What is the InChIKey of 2-bromo-5-(trifluoromethyl)-1,3-oxazole;hydrochloride?
The InChIKey is OQYQMCXRRUVEIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4HBrF3NO.ClH/c5-3-9-1-2(10-3)4(6,7)8;/h1H;1H.
What are the key properties of 2-bromo-5-(trifluoromethyl)-1,3-oxazole;hydrochloride?
2-bromo-5-(trifluoromethyl)-1,3-oxazole;hydrochloride has a molecular weight of 252.42 g/mol, XLogP of 2.88, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(trifluoromethyl)-1,3-oxazole;hydrochloride is sourced from PubChem (CID 155943886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).