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

C26H41N3OSi2Zn — CID 139107794

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

zinc;bis(trimethylsilyl)azanide;(2,6-dimethylphenyl)-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]azanide (PubChem CID 139107794) has the molecular formula C26H41N3OSi2Zn and a molecular weight of 533.20 g/mol. Its IUPAC name is zinc;bis(trimethylsilyl)azanide;(2,6-dimethylphenyl)-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]azanide.

Molecular Properties

• Compound Name: zinc;bis(trimethylsilyl)azanide;(2,6-dimethylphenyl)-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]azanide
• PubChem CID: 139107794
• Molecular Formula: C26H41N3OSi2Zn
• Molecular Weight: 533.20 g/mol
• Exact Mass: 531.21
• IUPAC Name: zinc;bis(trimethylsilyl)azanide;(2,6-dimethylphenyl)-[2-[(4S)-4-propan-2-yl-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](C(C)C)CO1.[Zn+2]
• InChI: InChI=1S/C20H23N2O.C6H18NSi2.Zn/c1-13(2)18-12-23-20(22-18)16-10-5-6-11-17(16)21-19-14(3)8-7-9-15(19)4;1-8(2,3)7-9(4,5)6;/h5-11,13,18H,12H2,1-4H3;1-6H3;/q2*-1;+2/t18-;;/m1../s1
• InChIKey: MYTRRKTXXTUQKF-JPKZNVRTSA-N
• XLogP: 8.47
• TPSA: 49.79 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	533.20
LogP ≤ 5	8.47
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-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]azanide?

The IUPAC name of zinc;bis(trimethylsilyl)azanide;(2,6-dimethylphenyl)-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]azanide (CID 139107794) is zinc;bis(trimethylsilyl)azanide;(2,6-dimethylphenyl)-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]azanide.

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

The canonical SMILES for zinc;bis(trimethylsilyl)azanide;(2,6-dimethylphenyl)-[2-[(4S)-4-propan-2-yl-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](C(C)C)CO1.[Zn+2].

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

The InChIKey is MYTRRKTXXTUQKF-JPKZNVRTSA-N. The full InChI is InChI=1S/C20H23N2O.C6H18NSi2.Zn/c1-13(2)18-12-23-20(22-18)16-10-5-6-11-17(16)21-19-14(3)8-7-9-15(19)4;1-8(2,3)7-9(4,5)6;/h5-11,13,18H,12H2,1-4H3;1-6H3;/q2*-1;+2/t18-;;/m1../s1.

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

zinc;bis(trimethylsilyl)azanide;(2,6-dimethylphenyl)-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]azanide has a molecular weight of 533.20 g/mol, XLogP of 8.47, 6 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-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]azanide is sourced from PubChem (CID 139107794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).