O-(1,2-oxazol-3-ylmethyl)hydroxylamine;hydrochloride

C4H7ClN2O2 — CID 23315718

IUPACO-(1,2-oxazol-3-ylmethyl)hydroxylamine;hydrochloride
SMILESCl.NOCc1ccon1
InChIInChI=1S/C4H6N2O2.ClH/c5-7-3-4-1-2-8-6-4;/h1-2H,3,5H2;1H
InChIKeyMWNNYPLZUHWLBN-UHFFFAOYSA-N
MW150.57 g/mol
LogP0.49
Rot. Bonds2

About O-(1,2-oxazol-3-ylmethyl)hydroxylamine;hydrochloride

O-(1,2-oxazol-3-ylmethyl)hydroxylamine;hydrochloride (PubChem CID 23315718) has the molecular formula C4H7ClN2O2 and a molecular weight of 150.57 g/mol. Its IUPAC name is O-(1,2-oxazol-3-ylmethyl)hydroxylamine;hydrochloride.

Molecular Properties

Compound NameO-(1,2-oxazol-3-ylmethyl)hydroxylamine;hydrochloride
PubChem CID23315718
Molecular FormulaC4H7ClN2O2
Molecular Weight150.57 g/mol
Exact Mass150.02
IUPAC NameO-(1,2-oxazol-3-ylmethyl)hydroxylamine;hydrochloride
SMILESCl.NOCc1ccon1
InChIInChI=1S/C4H6N2O2.ClH/c5-7-3-4-1-2-8-6-4;/h1-2H,3,5H2;1H
InChIKeyMWNNYPLZUHWLBN-UHFFFAOYSA-N
XLogP0.49
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.57
LogP ≤ 50.49
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-(1,2-oxazol-3-ylmethyl)hydroxylamine;hydrochloride?
The IUPAC name of O-(1,2-oxazol-3-ylmethyl)hydroxylamine;hydrochloride (CID 23315718) is O-(1,2-oxazol-3-ylmethyl)hydroxylamine;hydrochloride.
What is the SMILES notation for O-(1,2-oxazol-3-ylmethyl)hydroxylamine;hydrochloride?
The canonical SMILES for O-(1,2-oxazol-3-ylmethyl)hydroxylamine;hydrochloride is Cl.NOCc1ccon1.
What is the InChIKey of O-(1,2-oxazol-3-ylmethyl)hydroxylamine;hydrochloride?
The InChIKey is MWNNYPLZUHWLBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2O2.ClH/c5-7-3-4-1-2-8-6-4;/h1-2H,3,5H2;1H.
What are the key properties of O-(1,2-oxazol-3-ylmethyl)hydroxylamine;hydrochloride?
O-(1,2-oxazol-3-ylmethyl)hydroxylamine;hydrochloride has a molecular weight of 150.57 g/mol, XLogP of 0.49, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for O-(1,2-oxazol-3-ylmethyl)hydroxylamine;hydrochloride is sourced from PubChem (CID 23315718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).