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

C4H5BrN2O2 — CID 142662669

IUPACO-[(3-bromo-1,2-oxazol-5-yl)methyl]hydroxylamine
SMILESNOCc1cc(Br)no1
InChIInChI=1S/C4H5BrN2O2/c5-4-1-3(2-8-6)9-7-4/h1H,2,6H2
InChIKeyFJBYEYMPPPUDCL-UHFFFAOYSA-N
MW193.00 g/mol
LogP0.83
Rot. Bonds2

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

O-[(3-bromo-1,2-oxazol-5-yl)methyl]hydroxylamine (PubChem CID 142662669) has the molecular formula C4H5BrN2O2 and a molecular weight of 193.00 g/mol. Its IUPAC name is O-[(3-bromo-1,2-oxazol-5-yl)methyl]hydroxylamine.

Molecular Properties

Compound NameO-[(3-bromo-1,2-oxazol-5-yl)methyl]hydroxylamine
PubChem CID142662669
Molecular FormulaC4H5BrN2O2
Molecular Weight193.00 g/mol
Exact Mass191.95
IUPAC NameO-[(3-bromo-1,2-oxazol-5-yl)methyl]hydroxylamine
SMILESNOCc1cc(Br)no1
InChIInChI=1S/C4H5BrN2O2/c5-4-1-3(2-8-6)9-7-4/h1H,2,6H2
InChIKeyFJBYEYMPPPUDCL-UHFFFAOYSA-N
XLogP0.83
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.00
LogP ≤ 50.83
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?
The IUPAC name of O-[(3-bromo-1,2-oxazol-5-yl)methyl]hydroxylamine (CID 142662669) is O-[(3-bromo-1,2-oxazol-5-yl)methyl]hydroxylamine.
What is the SMILES notation for O-[(3-bromo-1,2-oxazol-5-yl)methyl]hydroxylamine?
The canonical SMILES for O-[(3-bromo-1,2-oxazol-5-yl)methyl]hydroxylamine is NOCc1cc(Br)no1.
What is the InChIKey of O-[(3-bromo-1,2-oxazol-5-yl)methyl]hydroxylamine?
The InChIKey is FJBYEYMPPPUDCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5BrN2O2/c5-4-1-3(2-8-6)9-7-4/h1H,2,6H2.
What are the key properties of O-[(3-bromo-1,2-oxazol-5-yl)methyl]hydroxylamine?
O-[(3-bromo-1,2-oxazol-5-yl)methyl]hydroxylamine has a molecular weight of 193.00 g/mol, XLogP of 0.83, 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 is sourced from PubChem (CID 142662669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).