5-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]piperidin-1-yl]-2-cyclohexyl-1,3-benzoxazol-6-amine

C25H41N3O2Si — CID 174132742

About 5-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]piperidin-1-yl]-2-cyclohexyl-1,3-benzoxazol-6-amine

5-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]piperidin-1-yl]-2-cyclohexyl-1,3-benzoxazol-6-amine (PubChem CID 174132742) has the molecular formula C25H41N3O2Si and a molecular weight of 443.71 g/mol. Its IUPAC name is 5-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]piperidin-1-yl]-2-cyclohexyl-1,3-benzoxazol-6-amine.

Molecular Properties

• Compound Name: 5-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]piperidin-1-yl]-2-cyclohexyl-1,3-benzoxazol-6-amine
• PubChem CID: 174132742
• Molecular Formula: C25H41N3O2Si
• Molecular Weight: 443.71 g/mol
• Exact Mass: 443.30
• IUPAC Name: 5-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]piperidin-1-yl]-2-cyclohexyl-1,3-benzoxazol-6-amine
• SMILES: CC(C)(C)[Si](C)(C)OCC1CCN(c2cc3nc(C4CCCCC4)oc3cc2N)CC1
• InChI: InChI=1S/C25H41N3O2Si/c1-25(2,3)31(4,5)29-17-18-11-13-28(14-12-18)22-16-21-23(15-20(22)26)30-24(27-21)19-9-7-6-8-10-19/h15-16,18-19H,6-14,17,26H2,1-5H3
• InChIKey: VQYSQFITVLQSMC-UHFFFAOYSA-N
• XLogP: 6.70
• TPSA: 64.52 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	443.71
LogP ≤ 5	6.70
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]piperidin-1-yl]-2-cyclohexyl-1,3-benzoxazol-6-amine?

The IUPAC name of 5-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]piperidin-1-yl]-2-cyclohexyl-1,3-benzoxazol-6-amine (CID 174132742) is 5-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]piperidin-1-yl]-2-cyclohexyl-1,3-benzoxazol-6-amine.

What is the SMILES notation for 5-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]piperidin-1-yl]-2-cyclohexyl-1,3-benzoxazol-6-amine?

The canonical SMILES for 5-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]piperidin-1-yl]-2-cyclohexyl-1,3-benzoxazol-6-amine is CC(C)(C)[Si](C)(C)OCC1CCN(c2cc3nc(C4CCCCC4)oc3cc2N)CC1.

What is the InChIKey of 5-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]piperidin-1-yl]-2-cyclohexyl-1,3-benzoxazol-6-amine?

The InChIKey is VQYSQFITVLQSMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H41N3O2Si/c1-25(2,3)31(4,5)29-17-18-11-13-28(14-12-18)22-16-21-23(15-20(22)26)30-24(27-21)19-9-7-6-8-10-19/h15-16,18-19H,6-14,17,26H2,1-5H3.

What are the key properties of 5-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]piperidin-1-yl]-2-cyclohexyl-1,3-benzoxazol-6-amine?

5-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]piperidin-1-yl]-2-cyclohexyl-1,3-benzoxazol-6-amine has a molecular weight of 443.71 g/mol, XLogP of 6.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]piperidin-1-yl]-2-cyclohexyl-1,3-benzoxazol-6-amine is sourced from PubChem (CID 174132742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).