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

C35H30CuF6N2O8S2 — CID 15953435

IUPACcopper;(4R,5S)-2-[2-[(4R,5S)-4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-diphenyl-4,5-dihydro-1,3-oxazole;bis(trifluoromethanesulfonate)
SMILESCC(C)(C1=N[C@H](c2ccccc2)[C@H](c2ccccc2)O1)C1=N[C@H](c2ccccc2)[C@H](c2ccccc2)O1.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Cu+2]
InChIInChI=1S/C33H30N2O2.2CHF3O3S.Cu/c1-33(2,31-34-27(23-15-7-3-8-16-23)29(36-31)25-19-11-5-12-20-25)32-35-28(24-17-9-4-10-18-24)30(37-32)26-21-13-6-14-22-26;2*2-1(3,4)8(5,6)7;/h3-22,27-30H,1-2H3;2*(H,5,6,7);/q;;;+2/p-2/t27-,28-,29+,30+;;;/m1.../s1
InChIKeyOFODANUKCIPZSW-LYUSHGQQSA-L
MW848.30 g/mol
LogP7.94
Rot. Bonds6

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

copper;(4R,5S)-2-[2-[(4R,5S)-4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-diphenyl-4,5-dihydro-1,3-oxazole;bis(trifluoromethanesulfonate) (PubChem CID 15953435) has the molecular formula C35H30CuF6N2O8S2 and a molecular weight of 848.30 g/mol. Its IUPAC name is copper;(4R,5S)-2-[2-[(4R,5S)-4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-diphenyl-4,5-dihydro-1,3-oxazole;bis(trifluoromethanesulfonate).

Molecular Properties

Compound Namecopper;(4R,5S)-2-[2-[(4R,5S)-4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-diphenyl-4,5-dihydro-1,3-oxazole;bis(trifluoromethanesulfonate)
PubChem CID15953435
Molecular FormulaC35H30CuF6N2O8S2
Molecular Weight848.30 g/mol
Exact Mass847.06
IUPAC Namecopper;(4R,5S)-2-[2-[(4R,5S)-4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-diphenyl-4,5-dihydro-1,3-oxazole;bis(trifluoromethanesulfonate)
SMILESCC(C)(C1=N[C@H](c2ccccc2)[C@H](c2ccccc2)O1)C1=N[C@H](c2ccccc2)[C@H](c2ccccc2)O1.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Cu+2]
InChIInChI=1S/C33H30N2O2.2CHF3O3S.Cu/c1-33(2,31-34-27(23-15-7-3-8-16-23)29(36-31)25-19-11-5-12-20-25)32-35-28(24-17-9-4-10-18-24)30(37-32)26-21-13-6-14-22-26;2*2-1(3,4)8(5,6)7;/h3-22,27-30H,1-2H3;2*(H,5,6,7);/q;;;+2/p-2/t27-,28-,29+,30+;;;/m1.../s1
InChIKeyOFODANUKCIPZSW-LYUSHGQQSA-L
XLogP7.94
TPSA157.58 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500848.30
LogP ≤ 57.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze copper;(4R,5S)-2-[2-[(4R,5S)-4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-diphenyl-4,5-dihydro-1,3-oxazole;bis(trifluoromethanesulfonate) with MolForge

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Frequently Asked Questions

What is the IUPAC name of copper;(4R,5S)-2-[2-[(4R,5S)-4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-diphenyl-4,5-dihydro-1,3-oxazole;bis(trifluoromethanesulfonate)?
The IUPAC name of copper;(4R,5S)-2-[2-[(4R,5S)-4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-diphenyl-4,5-dihydro-1,3-oxazole;bis(trifluoromethanesulfonate) (CID 15953435) is copper;(4R,5S)-2-[2-[(4R,5S)-4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-diphenyl-4,5-dihydro-1,3-oxazole;bis(trifluoromethanesulfonate).
What is the SMILES notation for copper;(4R,5S)-2-[2-[(4R,5S)-4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-diphenyl-4,5-dihydro-1,3-oxazole;bis(trifluoromethanesulfonate)?
The canonical SMILES for copper;(4R,5S)-2-[2-[(4R,5S)-4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-diphenyl-4,5-dihydro-1,3-oxazole;bis(trifluoromethanesulfonate) is CC(C)(C1=N[C@H](c2ccccc2)[C@H](c2ccccc2)O1)C1=N[C@H](c2ccccc2)[C@H](c2ccccc2)O1.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,5S)-2-[2-[(4R,5S)-4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-diphenyl-4,5-dihydro-1,3-oxazole;bis(trifluoromethanesulfonate)?
The InChIKey is OFODANUKCIPZSW-LYUSHGQQSA-L. The full InChI is InChI=1S/C33H30N2O2.2CHF3O3S.Cu/c1-33(2,31-34-27(23-15-7-3-8-16-23)29(36-31)25-19-11-5-12-20-25)32-35-28(24-17-9-4-10-18-24)30(37-32)26-21-13-6-14-22-26;2*2-1(3,4)8(5,6)7;/h3-22,27-30H,1-2H3;2*(H,5,6,7);/q;;;+2/p-2/t27-,28-,29+,30+;;;/m1.../s1.
What are the key properties of copper;(4R,5S)-2-[2-[(4R,5S)-4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-diphenyl-4,5-dihydro-1,3-oxazole;bis(trifluoromethanesulfonate)?
copper;(4R,5S)-2-[2-[(4R,5S)-4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-diphenyl-4,5-dihydro-1,3-oxazole;bis(trifluoromethanesulfonate) has a molecular weight of 848.30 g/mol, XLogP of 7.94, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for copper;(4R,5S)-2-[2-[(4R,5S)-4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-diphenyl-4,5-dihydro-1,3-oxazole;bis(trifluoromethanesulfonate) is sourced from PubChem (CID 15953435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).