N-[1-[(3R,5R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(hydroxymethyl)-2-methyl-1,2-oxazolidin-5-yl]-2-oxopyrimidin-4-yl]acetamide

C28H36N4O5Si — CID 102305717

About N-[1-[(3R,5R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(hydroxymethyl)-2-methyl-1,2-oxazolidin-5-yl]-2-oxopyrimidin-4-yl]acetamide

N-[1-[(3R,5R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(hydroxymethyl)-2-methyl-1,2-oxazolidin-5-yl]-2-oxopyrimidin-4-yl]acetamide (PubChem CID 102305717) has the molecular formula C28H36N4O5Si and a molecular weight of 536.71 g/mol. Its IUPAC name is N-[1-[(3R,5R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(hydroxymethyl)-2-methyl-1,2-oxazolidin-5-yl]-2-oxopyrimidin-4-yl]acetamide.

Molecular Properties

• Compound Name: N-[1-[(3R,5R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(hydroxymethyl)-2-methyl-1,2-oxazolidin-5-yl]-2-oxopyrimidin-4-yl]acetamide
• PubChem CID: 102305717
• Molecular Formula: C28H36N4O5Si
• Molecular Weight: 536.71 g/mol
• Exact Mass: 536.25
• IUPAC Name: N-[1-[(3R,5R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(hydroxymethyl)-2-methyl-1,2-oxazolidin-5-yl]-2-oxopyrimidin-4-yl]acetamide
• SMILES: CC(=O)Nc1ccn([C@]2(CO)C[C@H](CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)N(C)O2)c(=O)n1
• InChI: InChI=1S/C28H36N4O5Si/c1-21(34)29-25-16-17-32(26(35)30-25)28(20-33)18-22(31(5)37-28)19-36-38(27(2,3)4,23-12-8-6-9-13-23)24-14-10-7-11-15-24/h6-17,22,33H,18-20H2,1-5H3,(H,29,30,34,35)/t22-,28-/m1/s1
• InChIKey: LBYVMUVCWPKLHV-SKCUWOTOSA-N
• XLogP: 2.06
• TPSA: 105.92 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	536.71
LogP ≤ 5	2.06
H-Bond Donors ≤ 5	2
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 N-[1-[(3R,5R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(hydroxymethyl)-2-methyl-1,2-oxazolidin-5-yl]-2-oxopyrimidin-4-yl]acetamide?

The IUPAC name of N-[1-[(3R,5R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(hydroxymethyl)-2-methyl-1,2-oxazolidin-5-yl]-2-oxopyrimidin-4-yl]acetamide (CID 102305717) is N-[1-[(3R,5R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(hydroxymethyl)-2-methyl-1,2-oxazolidin-5-yl]-2-oxopyrimidin-4-yl]acetamide.

What is the SMILES notation for N-[1-[(3R,5R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(hydroxymethyl)-2-methyl-1,2-oxazolidin-5-yl]-2-oxopyrimidin-4-yl]acetamide?

The canonical SMILES for N-[1-[(3R,5R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(hydroxymethyl)-2-methyl-1,2-oxazolidin-5-yl]-2-oxopyrimidin-4-yl]acetamide is CC(=O)Nc1ccn([C@]2(CO)C[C@H](CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)N(C)O2)c(=O)n1.

What is the InChIKey of N-[1-[(3R,5R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(hydroxymethyl)-2-methyl-1,2-oxazolidin-5-yl]-2-oxopyrimidin-4-yl]acetamide?

The InChIKey is LBYVMUVCWPKLHV-SKCUWOTOSA-N. The full InChI is InChI=1S/C28H36N4O5Si/c1-21(34)29-25-16-17-32(26(35)30-25)28(20-33)18-22(31(5)37-28)19-36-38(27(2,3)4,23-12-8-6-9-13-23)24-14-10-7-11-15-24/h6-17,22,33H,18-20H2,1-5H3,(H,29,30,34,35)/t22-,28-/m1/s1.

What are the key properties of N-[1-[(3R,5R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(hydroxymethyl)-2-methyl-1,2-oxazolidin-5-yl]-2-oxopyrimidin-4-yl]acetamide?

N-[1-[(3R,5R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(hydroxymethyl)-2-methyl-1,2-oxazolidin-5-yl]-2-oxopyrimidin-4-yl]acetamide has a molecular weight of 536.71 g/mol, XLogP of 2.06, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[(3R,5R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(hydroxymethyl)-2-methyl-1,2-oxazolidin-5-yl]-2-oxopyrimidin-4-yl]acetamide is sourced from PubChem (CID 102305717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).