O-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]hydroxylamine;hydrochloride

C6H11ClN2O2 — CID 19974948

IUPACO-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]hydroxylamine;hydrochloride
SMILESCc1noc(C)c1CON.Cl
InChIInChI=1S/C6H10N2O2.ClH/c1-4-6(3-9-7)5(2)10-8-4;/h3,7H2,1-2H3;1H
InChIKeyZKDNPARCFQWHTI-UHFFFAOYSA-N
MW178.62 g/mol
LogP1.10
Rot. Bonds2

About O-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]hydroxylamine;hydrochloride

O-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]hydroxylamine;hydrochloride (PubChem CID 19974948) has the molecular formula C6H11ClN2O2 and a molecular weight of 178.62 g/mol. Its IUPAC name is O-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]hydroxylamine;hydrochloride.

Molecular Properties

Compound NameO-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]hydroxylamine;hydrochloride
PubChem CID19974948
Molecular FormulaC6H11ClN2O2
Molecular Weight178.62 g/mol
Exact Mass178.05
IUPAC NameO-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]hydroxylamine;hydrochloride
SMILESCc1noc(C)c1CON.Cl
InChIInChI=1S/C6H10N2O2.ClH/c1-4-6(3-9-7)5(2)10-8-4;/h3,7H2,1-2H3;1H
InChIKeyZKDNPARCFQWHTI-UHFFFAOYSA-N
XLogP1.10
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.62
LogP ≤ 51.10
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-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]hydroxylamine;hydrochloride?
The IUPAC name of O-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]hydroxylamine;hydrochloride (CID 19974948) is O-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]hydroxylamine;hydrochloride.
What is the SMILES notation for O-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]hydroxylamine;hydrochloride?
The canonical SMILES for O-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]hydroxylamine;hydrochloride is Cc1noc(C)c1CON.Cl.
What is the InChIKey of O-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]hydroxylamine;hydrochloride?
The InChIKey is ZKDNPARCFQWHTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O2.ClH/c1-4-6(3-9-7)5(2)10-8-4;/h3,7H2,1-2H3;1H.
What are the key properties of O-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]hydroxylamine;hydrochloride?
O-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]hydroxylamine;hydrochloride has a molecular weight of 178.62 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for O-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]hydroxylamine;hydrochloride is sourced from PubChem (CID 19974948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).