magnesium;[2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-(trifluoromethylsulfonyl)azanide;iodide

C16H12F3IMgN2O3S — CID 10529974

About magnesium;[2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-(trifluoromethylsulfonyl)azanide;iodide

magnesium;[2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-(trifluoromethylsulfonyl)azanide;iodide (PubChem CID 10529974) has the molecular formula C16H12F3IMgN2O3S and a molecular weight of 520.55 g/mol. Its IUPAC name is magnesium;[2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-(trifluoromethylsulfonyl)azanide;iodide.

Molecular Properties

• Compound Name: magnesium;[2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-(trifluoromethylsulfonyl)azanide;iodide
• PubChem CID: 10529974
• Molecular Formula: C16H12F3IMgN2O3S
• Molecular Weight: 520.55 g/mol
• Exact Mass: 519.94
• IUPAC Name: magnesium;[2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-(trifluoromethylsulfonyl)azanide;iodide
• SMILES: O=S(=O)([N-]c1ccccc1C1=N[C@H](c2ccccc2)CO1)C(F)(F)F.[I-].[Mg+2]
• InChI: InChI=1S/C16H12F3N2O3S.HI.Mg/c17-16(18,19)25(22,23)21-13-9-5-4-8-12(13)15-20-14(10-24-15)11-6-2-1-3-7-11;;/h1-9,14H,10H2;1H;/q-1;;+2/p-1/t14-;;/m0../s1
• InChIKey: UOAVNDKGNRUYSL-UTLKBRERSA-M
• XLogP: 0.68
• TPSA: 69.83 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	520.55
LogP ≤ 5	0.68
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of magnesium;[2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-(trifluoromethylsulfonyl)azanide;iodide?

The IUPAC name of magnesium;[2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-(trifluoromethylsulfonyl)azanide;iodide (CID 10529974) is magnesium;[2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-(trifluoromethylsulfonyl)azanide;iodide.

What is the SMILES notation for magnesium;[2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-(trifluoromethylsulfonyl)azanide;iodide?

The canonical SMILES for magnesium;[2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-(trifluoromethylsulfonyl)azanide;iodide is O=S(=O)([N-]c1ccccc1C1=N[C@H](c2ccccc2)CO1)C(F)(F)F.[I-].[Mg+2].

What is the InChIKey of magnesium;[2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-(trifluoromethylsulfonyl)azanide;iodide?

The InChIKey is UOAVNDKGNRUYSL-UTLKBRERSA-M. The full InChI is InChI=1S/C16H12F3N2O3S.HI.Mg/c17-16(18,19)25(22,23)21-13-9-5-4-8-12(13)15-20-14(10-24-15)11-6-2-1-3-7-11;;/h1-9,14H,10H2;1H;/q-1;;+2/p-1/t14-;;/m0../s1.

What are the key properties of magnesium;[2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-(trifluoromethylsulfonyl)azanide;iodide?

magnesium;[2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-(trifluoromethylsulfonyl)azanide;iodide has a molecular weight of 520.55 g/mol, XLogP of 0.68, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for magnesium;[2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-(trifluoromethylsulfonyl)azanide;iodide is sourced from PubChem (CID 10529974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).