2-[2-[4-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]piperazin-1-yl]phenyl]-4,4-dimethyl-5H-1,3-oxazole;palladium(2+);dihexafluorophosphate

C26H32F12N4O2P2Pd — CID 10898134

About 2-[2-[4-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]piperazin-1-yl]phenyl]-4,4-dimethyl-5H-1,3-oxazole;palladium(2+);dihexafluorophosphate

2-[2-[4-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]piperazin-1-yl]phenyl]-4,4-dimethyl-5H-1,3-oxazole;palladium(2+);dihexafluorophosphate (PubChem CID 10898134) has the molecular formula C26H32F12N4O2P2Pd and a molecular weight of 828.91 g/mol. Its IUPAC name is 2-[2-[4-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]piperazin-1-yl]phenyl]-4,4-dimethyl-5H-1,3-oxazole;palladium(2+);dihexafluorophosphate.

Molecular Properties

• Compound Name: 2-[2-[4-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]piperazin-1-yl]phenyl]-4,4-dimethyl-5H-1,3-oxazole;palladium(2+);dihexafluorophosphate
• PubChem CID: 10898134
• Molecular Formula: C26H32F12N4O2P2Pd
• Molecular Weight: 828.91 g/mol
• Exact Mass: 828.08
• IUPAC Name: 2-[2-[4-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]piperazin-1-yl]phenyl]-4,4-dimethyl-5H-1,3-oxazole;palladium(2+);dihexafluorophosphate
• SMILES: CC1(C)COC(c2ccccc2N2CCN(c3ccccc3C3=NC(C)(C)CO3)CC2)=N1.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Pd+2]
• InChI: InChI=1S/C26H32N4O2.2F6P.Pd/c1-25(2)17-31-23(27-25)19-9-5-7-11-21(19)29-13-15-30(16-14-29)22-12-8-6-10-20(22)24-28-26(3,4)18-32-24;2*1-7(2,3,4,5)6;/h5-12H,13-18H2,1-4H3;;;/q;2*-1;+2
• InChIKey: KUSZTAQZZPWWER-UHFFFAOYSA-N
• XLogP: 10.89
• TPSA: 49.66 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	828.91
LogP ≤ 5	10.89
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]piperazin-1-yl]phenyl]-4,4-dimethyl-5H-1,3-oxazole;palladium(2+);dihexafluorophosphate?

The IUPAC name of 2-[2-[4-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]piperazin-1-yl]phenyl]-4,4-dimethyl-5H-1,3-oxazole;palladium(2+);dihexafluorophosphate (CID 10898134) is 2-[2-[4-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]piperazin-1-yl]phenyl]-4,4-dimethyl-5H-1,3-oxazole;palladium(2+);dihexafluorophosphate.

What is the SMILES notation for 2-[2-[4-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]piperazin-1-yl]phenyl]-4,4-dimethyl-5H-1,3-oxazole;palladium(2+);dihexafluorophosphate?

The canonical SMILES for 2-[2-[4-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]piperazin-1-yl]phenyl]-4,4-dimethyl-5H-1,3-oxazole;palladium(2+);dihexafluorophosphate is CC1(C)COC(c2ccccc2N2CCN(c3ccccc3C3=NC(C)(C)CO3)CC2)=N1.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Pd+2].

What is the InChIKey of 2-[2-[4-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]piperazin-1-yl]phenyl]-4,4-dimethyl-5H-1,3-oxazole;palladium(2+);dihexafluorophosphate?

The InChIKey is KUSZTAQZZPWWER-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O2.2F6P.Pd/c1-25(2)17-31-23(27-25)19-9-5-7-11-21(19)29-13-15-30(16-14-29)22-12-8-6-10-20(22)24-28-26(3,4)18-32-24;2*1-7(2,3,4,5)6;/h5-12H,13-18H2,1-4H3;;;/q;2*-1;+2.

What are the key properties of 2-[2-[4-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]piperazin-1-yl]phenyl]-4,4-dimethyl-5H-1,3-oxazole;palladium(2+);dihexafluorophosphate?

2-[2-[4-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]piperazin-1-yl]phenyl]-4,4-dimethyl-5H-1,3-oxazole;palladium(2+);dihexafluorophosphate has a molecular weight of 828.91 g/mol, XLogP of 10.89, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[4-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]piperazin-1-yl]phenyl]-4,4-dimethyl-5H-1,3-oxazole;palladium(2+);dihexafluorophosphate is sourced from PubChem (CID 10898134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).