trimethyl-[4-[9-[[4-(4-methylimidazol-1-yl)-1,3-benzoxazol-7-yl]methylidene]-2,3,6,7-tetrahydro-[1,4]oxazino[4,3-b][1,2,4]triazin-4-yl]phenyl]silane

C27H30N6O2Si — CID 75171793

About trimethyl-[4-[9-[[4-(4-methylimidazol-1-yl)-1,3-benzoxazol-7-yl]methylidene]-2,3,6,7-tetrahydro-[1,4]oxazino[4,3-b][1,2,4]triazin-4-yl]phenyl]silane

trimethyl-[4-[9-[[4-(4-methylimidazol-1-yl)-1,3-benzoxazol-7-yl]methylidene]-2,3,6,7-tetrahydro-[1,4]oxazino[4,3-b][1,2,4]triazin-4-yl]phenyl]silane (PubChem CID 75171793) has the molecular formula C27H30N6O2Si and a molecular weight of 498.66 g/mol. Its IUPAC name is trimethyl-[4-[9-[[4-(4-methylimidazol-1-yl)-1,3-benzoxazol-7-yl]methylidene]-2,3,6,7-tetrahydro-[1,4]oxazino[4,3-b][1,2,4]triazin-4-yl]phenyl]silane.

Molecular Properties

• Compound Name: trimethyl-[4-[9-[[4-(4-methylimidazol-1-yl)-1,3-benzoxazol-7-yl]methylidene]-2,3,6,7-tetrahydro-[1,4]oxazino[4,3-b][1,2,4]triazin-4-yl]phenyl]silane
• PubChem CID: 75171793
• Molecular Formula: C27H30N6O2Si
• Molecular Weight: 498.66 g/mol
• Exact Mass: 498.22
• IUPAC Name: trimethyl-[4-[9-[[4-(4-methylimidazol-1-yl)-1,3-benzoxazol-7-yl]methylidene]-2,3,6,7-tetrahydro-[1,4]oxazino[4,3-b][1,2,4]triazin-4-yl]phenyl]silane
• SMILES: Cc1cn(-c2ccc(C=C3OCCN4C3=NCCN4c3ccc([Si](C)(C)C)cc3)c3ocnc23)cn1
• InChI: InChI=1S/C27H30N6O2Si/c1-19-16-31(17-29-19)23-10-5-20(26-25(23)30-18-35-26)15-24-27-28-11-12-32(33(27)13-14-34-24)21-6-8-22(9-7-21)36(2,3)4/h5-10,15-18H,11-14H2,1-4H3
• InChIKey: ZDVFYMSZVDHOQT-UHFFFAOYSA-N
• XLogP: 4.37
• TPSA: 71.92 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	498.66
LogP ≤ 5	4.37
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of trimethyl-[4-[9-[[4-(4-methylimidazol-1-yl)-1,3-benzoxazol-7-yl]methylidene]-2,3,6,7-tetrahydro-[1,4]oxazino[4,3-b][1,2,4]triazin-4-yl]phenyl]silane?

The IUPAC name of trimethyl-[4-[9-[[4-(4-methylimidazol-1-yl)-1,3-benzoxazol-7-yl]methylidene]-2,3,6,7-tetrahydro-[1,4]oxazino[4,3-b][1,2,4]triazin-4-yl]phenyl]silane (CID 75171793) is trimethyl-[4-[9-[[4-(4-methylimidazol-1-yl)-1,3-benzoxazol-7-yl]methylidene]-2,3,6,7-tetrahydro-[1,4]oxazino[4,3-b][1,2,4]triazin-4-yl]phenyl]silane.

What is the SMILES notation for trimethyl-[4-[9-[[4-(4-methylimidazol-1-yl)-1,3-benzoxazol-7-yl]methylidene]-2,3,6,7-tetrahydro-[1,4]oxazino[4,3-b][1,2,4]triazin-4-yl]phenyl]silane?

The canonical SMILES for trimethyl-[4-[9-[[4-(4-methylimidazol-1-yl)-1,3-benzoxazol-7-yl]methylidene]-2,3,6,7-tetrahydro-[1,4]oxazino[4,3-b][1,2,4]triazin-4-yl]phenyl]silane is Cc1cn(-c2ccc(C=C3OCCN4C3=NCCN4c3ccc([Si](C)(C)C)cc3)c3ocnc23)cn1.

What is the InChIKey of trimethyl-[4-[9-[[4-(4-methylimidazol-1-yl)-1,3-benzoxazol-7-yl]methylidene]-2,3,6,7-tetrahydro-[1,4]oxazino[4,3-b][1,2,4]triazin-4-yl]phenyl]silane?

The InChIKey is ZDVFYMSZVDHOQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N6O2Si/c1-19-16-31(17-29-19)23-10-5-20(26-25(23)30-18-35-26)15-24-27-28-11-12-32(33(27)13-14-34-24)21-6-8-22(9-7-21)36(2,3)4/h5-10,15-18H,11-14H2,1-4H3.

What are the key properties of trimethyl-[4-[9-[[4-(4-methylimidazol-1-yl)-1,3-benzoxazol-7-yl]methylidene]-2,3,6,7-tetrahydro-[1,4]oxazino[4,3-b][1,2,4]triazin-4-yl]phenyl]silane?

trimethyl-[4-[9-[[4-(4-methylimidazol-1-yl)-1,3-benzoxazol-7-yl]methylidene]-2,3,6,7-tetrahydro-[1,4]oxazino[4,3-b][1,2,4]triazin-4-yl]phenyl]silane has a molecular weight of 498.66 g/mol, XLogP of 4.37, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for trimethyl-[4-[9-[[4-(4-methylimidazol-1-yl)-1,3-benzoxazol-7-yl]methylidene]-2,3,6,7-tetrahydro-[1,4]oxazino[4,3-b][1,2,4]triazin-4-yl]phenyl]silane is sourced from PubChem (CID 75171793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).