(3R,3aS)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-[(4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-oxopiperidin-1-yl]-3a,4-dihydro-3H-[1,3]oxazolo[4,3-c][1,4]benzoxazin-1-one

C38H50N2O6Si2 — CID 90295581

About (3R,3aS)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-[(4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-oxopiperidin-1-yl]-3a,4-dihydro-3H-[1,3]oxazolo[4,3-c][1,4]benzoxazin-1-one

(3R,3aS)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-[(4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-oxopiperidin-1-yl]-3a,4-dihydro-3H-[1,3]oxazolo[4,3-c][1,4]benzoxazin-1-one (PubChem CID 90295581) has the molecular formula C38H50N2O6Si2 and a molecular weight of 687.00 g/mol. Its IUPAC name is (3R,3aS)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-[(4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-oxopiperidin-1-yl]-3a,4-dihydro-3H-[1,3]oxazolo[4,3-c][1,4]benzoxazin-1-one.

Molecular Properties

• Compound Name: (3R,3aS)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-[(4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-oxopiperidin-1-yl]-3a,4-dihydro-3H-[1,3]oxazolo[4,3-c][1,4]benzoxazin-1-one
• PubChem CID: 90295581
• Molecular Formula: C38H50N2O6Si2
• Molecular Weight: 687.00 g/mol
• Exact Mass: 686.32
• IUPAC Name: (3R,3aS)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-[(4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-oxopiperidin-1-yl]-3a,4-dihydro-3H-[1,3]oxazolo[4,3-c][1,4]benzoxazin-1-one
• SMILES: CC(C)(C)[Si](C)(C)OC[C@@H]1OC(=O)N2c3ccc(N4CC[C@@H](O[Si](c5ccccc5)(c5ccccc5)C(C)(C)C)CC4=O)cc3OC[C@@H]12
• InChI: InChI=1S/C38H50N2O6Si2/c1-37(2,3)47(7,8)44-26-34-32-25-43-33-23-27(19-20-31(33)40(32)36(42)45-34)39-22-21-28(24-35(39)41)46-48(38(4,5)6,29-15-11-9-12-16-29)30-17-13-10-14-18-30/h9-20,23,28,32,34H,21-22,24-26H2,1-8H3/t28-,32+,34+/m1/s1
• InChIKey: SKTRLVUBBNBECM-BPXOLTOFSA-N
• XLogP: 6.87
• TPSA: 77.54 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	687.00
LogP ≤ 5	6.87
H-Bond Donors ≤ 5	0
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 (3R,3aS)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-[(4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-oxopiperidin-1-yl]-3a,4-dihydro-3H-[1,3]oxazolo[4,3-c][1,4]benzoxazin-1-one?

The IUPAC name of (3R,3aS)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-[(4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-oxopiperidin-1-yl]-3a,4-dihydro-3H-[1,3]oxazolo[4,3-c][1,4]benzoxazin-1-one (CID 90295581) is (3R,3aS)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-[(4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-oxopiperidin-1-yl]-3a,4-dihydro-3H-[1,3]oxazolo[4,3-c][1,4]benzoxazin-1-one.

What is the SMILES notation for (3R,3aS)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-[(4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-oxopiperidin-1-yl]-3a,4-dihydro-3H-[1,3]oxazolo[4,3-c][1,4]benzoxazin-1-one?

The canonical SMILES for (3R,3aS)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-[(4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-oxopiperidin-1-yl]-3a,4-dihydro-3H-[1,3]oxazolo[4,3-c][1,4]benzoxazin-1-one is CC(C)(C)[Si](C)(C)OC[C@@H]1OC(=O)N2c3ccc(N4CC[C@@H](O[Si](c5ccccc5)(c5ccccc5)C(C)(C)C)CC4=O)cc3OC[C@@H]12.

What is the InChIKey of (3R,3aS)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-[(4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-oxopiperidin-1-yl]-3a,4-dihydro-3H-[1,3]oxazolo[4,3-c][1,4]benzoxazin-1-one?

The InChIKey is SKTRLVUBBNBECM-BPXOLTOFSA-N. The full InChI is InChI=1S/C38H50N2O6Si2/c1-37(2,3)47(7,8)44-26-34-32-25-43-33-23-27(19-20-31(33)40(32)36(42)45-34)39-22-21-28(24-35(39)41)46-48(38(4,5)6,29-15-11-9-12-16-29)30-17-13-10-14-18-30/h9-20,23,28,32,34H,21-22,24-26H2,1-8H3/t28-,32+,34+/m1/s1.

What are the key properties of (3R,3aS)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-[(4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-oxopiperidin-1-yl]-3a,4-dihydro-3H-[1,3]oxazolo[4,3-c][1,4]benzoxazin-1-one?

(3R,3aS)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-[(4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-oxopiperidin-1-yl]-3a,4-dihydro-3H-[1,3]oxazolo[4,3-c][1,4]benzoxazin-1-one has a molecular weight of 687.00 g/mol, XLogP of 6.87, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (3R,3aS)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-[(4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-oxopiperidin-1-yl]-3a,4-dihydro-3H-[1,3]oxazolo[4,3-c][1,4]benzoxazin-1-one is sourced from PubChem (CID 90295581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).