copper;(4S)-4-phenyl-2-[6-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole;bis(trifluoromethanesulfonate);dihydrate

C25H23CuF6N3O10S2 — CID 11274257

About copper;(4S)-4-phenyl-2-[6-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole;bis(trifluoromethanesulfonate);dihydrate

copper;(4S)-4-phenyl-2-[6-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole;bis(trifluoromethanesulfonate);dihydrate (PubChem CID 11274257) has the molecular formula C25H23CuF6N3O10S2 and a molecular weight of 767.14 g/mol. Its IUPAC name is copper;(4S)-4-phenyl-2-[6-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole;bis(trifluoromethanesulfonate);dihydrate.

Molecular Properties

• Compound Name: copper;(4S)-4-phenyl-2-[6-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole;bis(trifluoromethanesulfonate);dihydrate
• PubChem CID: 11274257
• Molecular Formula: C25H23CuF6N3O10S2
• Molecular Weight: 767.14 g/mol
• Exact Mass: 766.00
• IUPAC Name: copper;(4S)-4-phenyl-2-[6-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole;bis(trifluoromethanesulfonate);dihydrate
• SMILES: O.O.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Cu+2].c1ccc([C@H]2COC(c3cccc(C4=N[C@@H](c5ccccc5)CO4)n3)=N2)cc1
• InChI: InChI=1S/C23H19N3O2.2CHF3O3S.Cu.2H2O/c1-3-8-16(9-4-1)20-14-27-22(25-20)18-12-7-13-19(24-18)23-26-21(15-28-23)17-10-5-2-6-11-17;2*2-1(3,4)8(5,6)7;;;/h1-13,20-21H,14-15H2;2*(H,5,6,7);;2*1H2/q;;;+2;;/p-2/t20-,21-;;;;;/m1...../s1
• InChIKey: WVLOOQUWFNJZLJ-OKRSHGFLSA-L
• XLogP: 2.57
• TPSA: 233.47 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 4
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	767.14
LogP ≤ 5	2.57
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

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;(4S)-4-phenyl-2-[6-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole;bis(trifluoromethanesulfonate);dihydrate?

The IUPAC name of copper;(4S)-4-phenyl-2-[6-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole;bis(trifluoromethanesulfonate);dihydrate (CID 11274257) is copper;(4S)-4-phenyl-2-[6-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole;bis(trifluoromethanesulfonate);dihydrate.

What is the SMILES notation for copper;(4S)-4-phenyl-2-[6-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole;bis(trifluoromethanesulfonate);dihydrate?

The canonical SMILES for copper;(4S)-4-phenyl-2-[6-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole;bis(trifluoromethanesulfonate);dihydrate is O.O.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Cu+2].c1ccc([C@H]2COC(c3cccc(C4=N[C@@H](c5ccccc5)CO4)n3)=N2)cc1.

What is the InChIKey of copper;(4S)-4-phenyl-2-[6-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole;bis(trifluoromethanesulfonate);dihydrate?

The InChIKey is WVLOOQUWFNJZLJ-OKRSHGFLSA-L. The full InChI is InChI=1S/C23H19N3O2.2CHF3O3S.Cu.2H2O/c1-3-8-16(9-4-1)20-14-27-22(25-20)18-12-7-13-19(24-18)23-26-21(15-28-23)17-10-5-2-6-11-17;2*2-1(3,4)8(5,6)7;;;/h1-13,20-21H,14-15H2;2*(H,5,6,7);;2*1H2/q;;;+2;;/p-2/t20-,21-;;;;;/m1...../s1.

What are the key properties of copper;(4S)-4-phenyl-2-[6-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole;bis(trifluoromethanesulfonate);dihydrate?

copper;(4S)-4-phenyl-2-[6-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole;bis(trifluoromethanesulfonate);dihydrate has a molecular weight of 767.14 g/mol, XLogP of 2.57, 4 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for copper;(4S)-4-phenyl-2-[6-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole;bis(trifluoromethanesulfonate);dihydrate is sourced from PubChem (CID 11274257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).