copper;(4R)-4-phenyl-2-[2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazole;bis(trifluoromethanesulfonate)

C23H22CuF6N2O8S2 — CID 10897782

About copper;(4R)-4-phenyl-2-[2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazole;bis(trifluoromethanesulfonate)

copper;(4R)-4-phenyl-2-[2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazole;bis(trifluoromethanesulfonate) (PubChem CID 10897782) has the molecular formula C23H22CuF6N2O8S2 and a molecular weight of 696.10 g/mol. Its IUPAC name is copper;(4R)-4-phenyl-2-[2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazole;bis(trifluoromethanesulfonate).

Molecular Properties

• Compound Name: copper;(4R)-4-phenyl-2-[2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazole;bis(trifluoromethanesulfonate)
• PubChem CID: 10897782
• Molecular Formula: C23H22CuF6N2O8S2
• Molecular Weight: 696.10 g/mol
• Exact Mass: 695.00
• IUPAC Name: copper;(4R)-4-phenyl-2-[2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazole;bis(trifluoromethanesulfonate)
• SMILES: CC(C)(C1=N[C@H](c2ccccc2)CO1)C1=N[C@H](c2ccccc2)CO1.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Cu+2]
• InChI: InChI=1S/C21H22N2O2.2CHF3O3S.Cu/c1-21(2,19-22-17(13-24-19)15-9-5-3-6-10-15)20-23-18(14-25-20)16-11-7-4-8-12-16;2*2-1(3,4)8(5,6)7;/h3-12,17-18H,13-14H2,1-2H3;2*(H,5,6,7);/q;;;+2/p-2/t17-,18-;;;/m0.../s1
• InChIKey: AGWQXFIEWCCKFU-NCXIRTITSA-L
• XLogP: 4.45
• TPSA: 157.58 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 4
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	696.10
LogP ≤ 5	4.45
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of copper;(4R)-4-phenyl-2-[2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazole;bis(trifluoromethanesulfonate)?

The IUPAC name of copper;(4R)-4-phenyl-2-[2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazole;bis(trifluoromethanesulfonate) (CID 10897782) is copper;(4R)-4-phenyl-2-[2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazole;bis(trifluoromethanesulfonate).

What is the SMILES notation for copper;(4R)-4-phenyl-2-[2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazole;bis(trifluoromethanesulfonate)?

The canonical SMILES for copper;(4R)-4-phenyl-2-[2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazole;bis(trifluoromethanesulfonate) is CC(C)(C1=N[C@H](c2ccccc2)CO1)C1=N[C@H](c2ccccc2)CO1.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Cu+2].

What is the InChIKey of copper;(4R)-4-phenyl-2-[2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazole;bis(trifluoromethanesulfonate)?

The InChIKey is AGWQXFIEWCCKFU-NCXIRTITSA-L. The full InChI is InChI=1S/C21H22N2O2.2CHF3O3S.Cu/c1-21(2,19-22-17(13-24-19)15-9-5-3-6-10-15)20-23-18(14-25-20)16-11-7-4-8-12-16;2*2-1(3,4)8(5,6)7;/h3-12,17-18H,13-14H2,1-2H3;2*(H,5,6,7);/q;;;+2/p-2/t17-,18-;;;/m0.../s1.

What are the key properties of copper;(4R)-4-phenyl-2-[2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazole;bis(trifluoromethanesulfonate)?

copper;(4R)-4-phenyl-2-[2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazole;bis(trifluoromethanesulfonate) has a molecular weight of 696.10 g/mol, XLogP of 4.45, 4 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for copper;(4R)-4-phenyl-2-[2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazole;bis(trifluoromethanesulfonate) is sourced from PubChem (CID 10897782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).