2-bromo-4-methyl-1,3-oxazole;hydrochloride

C4H5BrClNO — CID 112756516

IUPAC2-bromo-4-methyl-1,3-oxazole;hydrochloride
SMILESCc1coc(Br)n1.Cl
InChIInChI=1S/C4H4BrNO.ClH/c1-3-2-7-4(5)6-3;/h2H,1H3;1H
InChIKeyQIDPUHPMPYRLNE-UHFFFAOYSA-N
MW198.45 g/mol
LogP2.17
Rot. Bonds

About 2-bromo-4-methyl-1,3-oxazole;hydrochloride

2-bromo-4-methyl-1,3-oxazole;hydrochloride (PubChem CID 112756516) has the molecular formula C4H5BrClNO and a molecular weight of 198.45 g/mol. Its IUPAC name is 2-bromo-4-methyl-1,3-oxazole;hydrochloride.

Molecular Properties

Compound Name2-bromo-4-methyl-1,3-oxazole;hydrochloride
PubChem CID112756516
Molecular FormulaC4H5BrClNO
Molecular Weight198.45 g/mol
Exact Mass196.92
IUPAC Name2-bromo-4-methyl-1,3-oxazole;hydrochloride
SMILESCc1coc(Br)n1.Cl
InChIInChI=1S/C4H4BrNO.ClH/c1-3-2-7-4(5)6-3;/h2H,1H3;1H
InChIKeyQIDPUHPMPYRLNE-UHFFFAOYSA-N
XLogP2.17
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.45
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-methyl-1,3-oxazole;hydrochloride?
The IUPAC name of 2-bromo-4-methyl-1,3-oxazole;hydrochloride (CID 112756516) is 2-bromo-4-methyl-1,3-oxazole;hydrochloride.
What is the SMILES notation for 2-bromo-4-methyl-1,3-oxazole;hydrochloride?
The canonical SMILES for 2-bromo-4-methyl-1,3-oxazole;hydrochloride is Cc1coc(Br)n1.Cl.
What is the InChIKey of 2-bromo-4-methyl-1,3-oxazole;hydrochloride?
The InChIKey is QIDPUHPMPYRLNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4BrNO.ClH/c1-3-2-7-4(5)6-3;/h2H,1H3;1H.
What are the key properties of 2-bromo-4-methyl-1,3-oxazole;hydrochloride?
2-bromo-4-methyl-1,3-oxazole;hydrochloride has a molecular weight of 198.45 g/mol, XLogP of 2.17, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-methyl-1,3-oxazole;hydrochloride is sourced from PubChem (CID 112756516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).