diphenyl-[2-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]phosphane;palladium

C27H22NOPPd — CID 134992415

About diphenyl-[2-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]phosphane;palladium

diphenyl-[2-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]phosphane;palladium (PubChem CID 134992415) has the molecular formula C27H22NOPPd and a molecular weight of 513.87 g/mol. Its IUPAC name is diphenyl-[2-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]phosphane;palladium.

Molecular Properties

• Compound Name: diphenyl-[2-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]phosphane;palladium
• PubChem CID: 134992415
• Molecular Formula: C27H22NOPPd
• Molecular Weight: 513.87 g/mol
• Exact Mass: 513.05
• IUPAC Name: diphenyl-[2-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]phosphane;palladium
• SMILES: [Pd].c1ccc([C@H]2COC(c3ccccc3P(c3ccccc3)c3ccccc3)=N2)cc1
• InChI: InChI=1S/C27H22NOP.Pd/c1-4-12-21(13-5-1)25-20-29-27(28-25)24-18-10-11-19-26(24)30(22-14-6-2-7-15-22)23-16-8-3-9-17-23;/h1-19,25H,20H2;/t25-;/m1./s1
• InChIKey: STSVQNIRGUSIMO-VQIWEWKSSA-N
• XLogP: 4.96
• TPSA: 21.59 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	513.87
LogP ≤ 5	4.96
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of diphenyl-[2-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]phosphane;palladium?

The IUPAC name of diphenyl-[2-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]phosphane;palladium (CID 134992415) is diphenyl-[2-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]phosphane;palladium.

What is the SMILES notation for diphenyl-[2-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]phosphane;palladium?

The canonical SMILES for diphenyl-[2-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]phosphane;palladium is [Pd].c1ccc([C@H]2COC(c3ccccc3P(c3ccccc3)c3ccccc3)=N2)cc1.

What is the InChIKey of diphenyl-[2-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]phosphane;palladium?

The InChIKey is STSVQNIRGUSIMO-VQIWEWKSSA-N. The full InChI is InChI=1S/C27H22NOP.Pd/c1-4-12-21(13-5-1)25-20-29-27(28-25)24-18-10-11-19-26(24)30(22-14-6-2-7-15-22)23-16-8-3-9-17-23;/h1-19,25H,20H2;/t25-;/m1./s1.

What are the key properties of diphenyl-[2-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]phosphane;palladium?

diphenyl-[2-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]phosphane;palladium has a molecular weight of 513.87 g/mol, XLogP of 4.96, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for diphenyl-[2-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]phosphane;palladium is sourced from PubChem (CID 134992415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).