O-[(3-bromo-1,2-oxazol-5-yl)methyl]hydroxylamine;hydrochloride

C4H6BrClN2O2 — CID 142662668

IUPACO-[(3-bromo-1,2-oxazol-5-yl)methyl]hydroxylamine;hydrochloride
SMILESCl.NOCc1cc(Br)no1
InChIInChI=1S/C4H5BrN2O2.ClH/c5-4-1-3(2-8-6)9-7-4;/h1H,2,6H2;1H
InChIKeyMNKQMJZSUHNREZ-UHFFFAOYSA-N
MW229.46 g/mol
LogP1.25
Rot. Bonds2

About O-[(3-bromo-1,2-oxazol-5-yl)methyl]hydroxylamine;hydrochloride

O-[(3-bromo-1,2-oxazol-5-yl)methyl]hydroxylamine;hydrochloride (PubChem CID 142662668) has the molecular formula C4H6BrClN2O2 and a molecular weight of 229.46 g/mol. Its IUPAC name is O-[(3-bromo-1,2-oxazol-5-yl)methyl]hydroxylamine;hydrochloride.

Molecular Properties

Compound NameO-[(3-bromo-1,2-oxazol-5-yl)methyl]hydroxylamine;hydrochloride
PubChem CID142662668
Molecular FormulaC4H6BrClN2O2
Molecular Weight229.46 g/mol
Exact Mass227.93
IUPAC NameO-[(3-bromo-1,2-oxazol-5-yl)methyl]hydroxylamine;hydrochloride
SMILESCl.NOCc1cc(Br)no1
InChIInChI=1S/C4H5BrN2O2.ClH/c5-4-1-3(2-8-6)9-7-4;/h1H,2,6H2;1H
InChIKeyMNKQMJZSUHNREZ-UHFFFAOYSA-N
XLogP1.25
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.46
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of O-[(3-bromo-1,2-oxazol-5-yl)methyl]hydroxylamine;hydrochloride?
The IUPAC name of O-[(3-bromo-1,2-oxazol-5-yl)methyl]hydroxylamine;hydrochloride (CID 142662668) is O-[(3-bromo-1,2-oxazol-5-yl)methyl]hydroxylamine;hydrochloride.
What is the SMILES notation for O-[(3-bromo-1,2-oxazol-5-yl)methyl]hydroxylamine;hydrochloride?
The canonical SMILES for O-[(3-bromo-1,2-oxazol-5-yl)methyl]hydroxylamine;hydrochloride is Cl.NOCc1cc(Br)no1.
What is the InChIKey of O-[(3-bromo-1,2-oxazol-5-yl)methyl]hydroxylamine;hydrochloride?
The InChIKey is MNKQMJZSUHNREZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5BrN2O2.ClH/c5-4-1-3(2-8-6)9-7-4;/h1H,2,6H2;1H.
What are the key properties of O-[(3-bromo-1,2-oxazol-5-yl)methyl]hydroxylamine;hydrochloride?
O-[(3-bromo-1,2-oxazol-5-yl)methyl]hydroxylamine;hydrochloride has a molecular weight of 229.46 g/mol, XLogP of 1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for O-[(3-bromo-1,2-oxazol-5-yl)methyl]hydroxylamine;hydrochloride is sourced from PubChem (CID 142662668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).