magnesium;4,5-dihydro-1,3-oxazole;dinitrate

C3H5MgN3O7 — CID 174951581

IUPACmagnesium;4,5-dihydro-1,3-oxazole;dinitrate
SMILESC1=NCCO1.O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Mg+2]
InChIInChI=1S/C3H5NO.Mg.2NO3/c1-2-5-3-4-1;;2*2-1(3)4/h3H,1-2H2;;;/q;+2;2*-1
InChIKeyADLJIUNXXYOSSR-UHFFFAOYSA-N
MW219.39 g/mol
LogP-0.81
Rot. Bonds

About magnesium;4,5-dihydro-1,3-oxazole;dinitrate

magnesium;4,5-dihydro-1,3-oxazole;dinitrate (PubChem CID 174951581) has the molecular formula C3H5MgN3O7 and a molecular weight of 219.39 g/mol. Its IUPAC name is magnesium;4,5-dihydro-1,3-oxazole;dinitrate.

Molecular Properties

Compound Namemagnesium;4,5-dihydro-1,3-oxazole;dinitrate
PubChem CID174951581
Molecular FormulaC3H5MgN3O7
Molecular Weight219.39 g/mol
Exact Mass219.00
IUPAC Namemagnesium;4,5-dihydro-1,3-oxazole;dinitrate
SMILESC1=NCCO1.O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Mg+2]
InChIInChI=1S/C3H5NO.Mg.2NO3/c1-2-5-3-4-1;;2*2-1(3)4/h3H,1-2H2;;;/q;+2;2*-1
InChIKeyADLJIUNXXYOSSR-UHFFFAOYSA-N
XLogP-0.81
TPSA153.99 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.39
LogP ≤ 5-0.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of magnesium;4,5-dihydro-1,3-oxazole;dinitrate?
The IUPAC name of magnesium;4,5-dihydro-1,3-oxazole;dinitrate (CID 174951581) is magnesium;4,5-dihydro-1,3-oxazole;dinitrate.
What is the SMILES notation for magnesium;4,5-dihydro-1,3-oxazole;dinitrate?
The canonical SMILES for magnesium;4,5-dihydro-1,3-oxazole;dinitrate is C1=NCCO1.O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Mg+2].
What is the InChIKey of magnesium;4,5-dihydro-1,3-oxazole;dinitrate?
The InChIKey is ADLJIUNXXYOSSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5NO.Mg.2NO3/c1-2-5-3-4-1;;2*2-1(3)4/h3H,1-2H2;;;/q;+2;2*-1.
What are the key properties of magnesium;4,5-dihydro-1,3-oxazole;dinitrate?
magnesium;4,5-dihydro-1,3-oxazole;dinitrate has a molecular weight of 219.39 g/mol, XLogP of -0.81, 0 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;4,5-dihydro-1,3-oxazole;dinitrate is sourced from PubChem (CID 174951581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).