tert-butyl 4-[2-[7-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(2-hydroxyethyl)-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylate

C28H46N2O5Si — CID 58018713

About tert-butyl 4-[2-[7-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(2-hydroxyethyl)-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylate

tert-butyl 4-[2-[7-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(2-hydroxyethyl)-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylate (PubChem CID 58018713) has the molecular formula C28H46N2O5Si and a molecular weight of 518.77 g/mol. Its IUPAC name is tert-butyl 4-[2-[7-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(2-hydroxyethyl)-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylate.

Molecular Properties

• Compound Name: tert-butyl 4-[2-[7-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(2-hydroxyethyl)-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylate
• PubChem CID: 58018713
• Molecular Formula: C28H46N2O5Si
• Molecular Weight: 518.77 g/mol
• Exact Mass: 518.32
• IUPAC Name: tert-butyl 4-[2-[7-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(2-hydroxyethyl)-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylate
• SMILES: CC(C)(C)OC(=O)N1CCC(CCc2noc3c(CO[Si](C)(C)C(C)(C)C)c(CCO)ccc23)CC1
• InChI: InChI=1S/C28H46N2O5Si/c1-27(2,3)34-26(32)30-16-13-20(14-17-30)9-12-24-22-11-10-21(15-18-31)23(25(22)35-29-24)19-33-36(7,8)28(4,5)6/h10-11,20,31H,9,12-19H2,1-8H3
• InChIKey: FOAVOVSMNKPSDN-UHFFFAOYSA-N
• XLogP: 6.46
• TPSA: 85.03 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	518.77
LogP ≤ 5	6.46
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-[7-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(2-hydroxyethyl)-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylate?

The IUPAC name of tert-butyl 4-[2-[7-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(2-hydroxyethyl)-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylate (CID 58018713) is tert-butyl 4-[2-[7-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(2-hydroxyethyl)-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylate.

What is the SMILES notation for tert-butyl 4-[2-[7-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(2-hydroxyethyl)-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylate?

The canonical SMILES for tert-butyl 4-[2-[7-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(2-hydroxyethyl)-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(CCc2noc3c(CO[Si](C)(C)C(C)(C)C)c(CCO)ccc23)CC1.

What is the InChIKey of tert-butyl 4-[2-[7-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(2-hydroxyethyl)-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylate?

The InChIKey is FOAVOVSMNKPSDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H46N2O5Si/c1-27(2,3)34-26(32)30-16-13-20(14-17-30)9-12-24-22-11-10-21(15-18-31)23(25(22)35-29-24)19-33-36(7,8)28(4,5)6/h10-11,20,31H,9,12-19H2,1-8H3.

What are the key properties of tert-butyl 4-[2-[7-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(2-hydroxyethyl)-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylate?

tert-butyl 4-[2-[7-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(2-hydroxyethyl)-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylate has a molecular weight of 518.77 g/mol, XLogP of 6.46, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 4-[2-[7-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(2-hydroxyethyl)-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylate is sourced from PubChem (CID 58018713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).