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

C4H5BrClNO — CID 122163917

IUPAC5-bromo-4-methyl-1,3-oxazole;hydrochloride
SMILESCc1ncoc1Br.Cl
InChIInChI=1S/C4H4BrNO.ClH/c1-3-4(5)7-2-6-3;/h2H,1H3;1H
InChIKeyBAUJJYPYZLVNKV-UHFFFAOYSA-N
MW198.45 g/mol
LogP2.17
Rot. Bonds

About 5-bromo-4-methyl-1,3-oxazole;hydrochloride

5-bromo-4-methyl-1,3-oxazole;hydrochloride (PubChem CID 122163917) has the molecular formula C4H5BrClNO and a molecular weight of 198.45 g/mol. Its IUPAC name is 5-bromo-4-methyl-1,3-oxazole;hydrochloride.

Molecular Properties

Compound Name5-bromo-4-methyl-1,3-oxazole;hydrochloride
PubChem CID122163917
Molecular FormulaC4H5BrClNO
Molecular Weight198.45 g/mol
Exact Mass196.92
IUPAC Name5-bromo-4-methyl-1,3-oxazole;hydrochloride
SMILESCc1ncoc1Br.Cl
InChIInChI=1S/C4H4BrNO.ClH/c1-3-4(5)7-2-6-3;/h2H,1H3;1H
InChIKeyBAUJJYPYZLVNKV-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 5-bromo-4-methyl-1,3-oxazole;hydrochloride?
The IUPAC name of 5-bromo-4-methyl-1,3-oxazole;hydrochloride (CID 122163917) is 5-bromo-4-methyl-1,3-oxazole;hydrochloride.
What is the SMILES notation for 5-bromo-4-methyl-1,3-oxazole;hydrochloride?
The canonical SMILES for 5-bromo-4-methyl-1,3-oxazole;hydrochloride is Cc1ncoc1Br.Cl.
What is the InChIKey of 5-bromo-4-methyl-1,3-oxazole;hydrochloride?
The InChIKey is BAUJJYPYZLVNKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4BrNO.ClH/c1-3-4(5)7-2-6-3;/h2H,1H3;1H.
What are the key properties of 5-bromo-4-methyl-1,3-oxazole;hydrochloride?
5-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 5-bromo-4-methyl-1,3-oxazole;hydrochloride is sourced from PubChem (CID 122163917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).