zinc;bis(trimethylsilyl)azanide;(2,6-dimethylphenyl)-[2-[(4R)-4-(2-methylpropyl)-4,5-dihydro-1,3-oxazol-2-yl]phenyl]azanide

C27H43N3OSi2Zn — CID 139107795

About zinc;bis(trimethylsilyl)azanide;(2,6-dimethylphenyl)-[2-[(4R)-4-(2-methylpropyl)-4,5-dihydro-1,3-oxazol-2-yl]phenyl]azanide

zinc;bis(trimethylsilyl)azanide;(2,6-dimethylphenyl)-[2-[(4R)-4-(2-methylpropyl)-4,5-dihydro-1,3-oxazol-2-yl]phenyl]azanide (PubChem CID 139107795) has the molecular formula C27H43N3OSi2Zn and a molecular weight of 547.22 g/mol. Its IUPAC name is zinc;bis(trimethylsilyl)azanide;(2,6-dimethylphenyl)-[2-[(4R)-4-(2-methylpropyl)-4,5-dihydro-1,3-oxazol-2-yl]phenyl]azanide.

Molecular Properties

• Compound Name: zinc;bis(trimethylsilyl)azanide;(2,6-dimethylphenyl)-[2-[(4R)-4-(2-methylpropyl)-4,5-dihydro-1,3-oxazol-2-yl]phenyl]azanide
• PubChem CID: 139107795
• Molecular Formula: C27H43N3OSi2Zn
• Molecular Weight: 547.22 g/mol
• Exact Mass: 545.22
• IUPAC Name: zinc;bis(trimethylsilyl)azanide;(2,6-dimethylphenyl)-[2-[(4R)-4-(2-methylpropyl)-4,5-dihydro-1,3-oxazol-2-yl]phenyl]azanide
• SMILES: C[Si](C)(C)[N-][Si](C)(C)C.Cc1cccc(C)c1[N-]c1ccccc1C1=N[C@H](CC(C)C)CO1.[Zn+2]
• InChI: InChI=1S/C21H25N2O.C6H18NSi2.Zn/c1-14(2)12-17-13-24-21(22-17)18-10-5-6-11-19(18)23-20-15(3)8-7-9-16(20)4;1-8(2,3)7-9(4,5)6;/h5-11,14,17H,12-13H2,1-4H3;1-6H3;/q2*-1;+2/t17-;;/m1../s1
• InChIKey: VOBIJCDNFAZARO-ZEECNFPPSA-N
• XLogP: 8.86
• TPSA: 49.79 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	547.22
LogP ≤ 5	8.86
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of zinc;bis(trimethylsilyl)azanide;(2,6-dimethylphenyl)-[2-[(4R)-4-(2-methylpropyl)-4,5-dihydro-1,3-oxazol-2-yl]phenyl]azanide?

The IUPAC name of zinc;bis(trimethylsilyl)azanide;(2,6-dimethylphenyl)-[2-[(4R)-4-(2-methylpropyl)-4,5-dihydro-1,3-oxazol-2-yl]phenyl]azanide (CID 139107795) is zinc;bis(trimethylsilyl)azanide;(2,6-dimethylphenyl)-[2-[(4R)-4-(2-methylpropyl)-4,5-dihydro-1,3-oxazol-2-yl]phenyl]azanide.

What is the SMILES notation for zinc;bis(trimethylsilyl)azanide;(2,6-dimethylphenyl)-[2-[(4R)-4-(2-methylpropyl)-4,5-dihydro-1,3-oxazol-2-yl]phenyl]azanide?

The canonical SMILES for zinc;bis(trimethylsilyl)azanide;(2,6-dimethylphenyl)-[2-[(4R)-4-(2-methylpropyl)-4,5-dihydro-1,3-oxazol-2-yl]phenyl]azanide is C[Si](C)(C)[N-][Si](C)(C)C.Cc1cccc(C)c1[N-]c1ccccc1C1=N[C@H](CC(C)C)CO1.[Zn+2].

What is the InChIKey of zinc;bis(trimethylsilyl)azanide;(2,6-dimethylphenyl)-[2-[(4R)-4-(2-methylpropyl)-4,5-dihydro-1,3-oxazol-2-yl]phenyl]azanide?

The InChIKey is VOBIJCDNFAZARO-ZEECNFPPSA-N. The full InChI is InChI=1S/C21H25N2O.C6H18NSi2.Zn/c1-14(2)12-17-13-24-21(22-17)18-10-5-6-11-19(18)23-20-15(3)8-7-9-16(20)4;1-8(2,3)7-9(4,5)6;/h5-11,14,17H,12-13H2,1-4H3;1-6H3;/q2*-1;+2/t17-;;/m1../s1.

What are the key properties of zinc;bis(trimethylsilyl)azanide;(2,6-dimethylphenyl)-[2-[(4R)-4-(2-methylpropyl)-4,5-dihydro-1,3-oxazol-2-yl]phenyl]azanide?

zinc;bis(trimethylsilyl)azanide;(2,6-dimethylphenyl)-[2-[(4R)-4-(2-methylpropyl)-4,5-dihydro-1,3-oxazol-2-yl]phenyl]azanide has a molecular weight of 547.22 g/mol, XLogP of 8.86, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for zinc;bis(trimethylsilyl)azanide;(2,6-dimethylphenyl)-[2-[(4R)-4-(2-methylpropyl)-4,5-dihydro-1,3-oxazol-2-yl]phenyl]azanide is sourced from PubChem (CID 139107795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).