6-[(5R)-5-[3-[2-[tert-butyl(dimethyl)silyl]oxyethyl-[(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)methyl]amino]propyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-1,4-benzoxazin-3-one

C32H42FN5O6Si — CID 66737866

About 6-[(5R)-5-[3-[2-[tert-butyl(dimethyl)silyl]oxyethyl-[(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)methyl]amino]propyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-1,4-benzoxazin-3-one

6-[(5R)-5-[3-[2-[tert-butyl(dimethyl)silyl]oxyethyl-[(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)methyl]amino]propyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-1,4-benzoxazin-3-one (PubChem CID 66737866) has the molecular formula C32H42FN5O6Si and a molecular weight of 639.80 g/mol. Its IUPAC name is 6-[(5R)-5-[3-[2-[tert-butyl(dimethyl)silyl]oxyethyl-[(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)methyl]amino]propyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-1,4-benzoxazin-3-one.

Molecular Properties

• Compound Name: 6-[(5R)-5-[3-[2-[tert-butyl(dimethyl)silyl]oxyethyl-[(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)methyl]amino]propyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-1,4-benzoxazin-3-one
• PubChem CID: 66737866
• Molecular Formula: C32H42FN5O6Si
• Molecular Weight: 639.80 g/mol
• Exact Mass: 639.29
• IUPAC Name: 6-[(5R)-5-[3-[2-[tert-butyl(dimethyl)silyl]oxyethyl-[(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)methyl]amino]propyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-1,4-benzoxazin-3-one
• SMILES: COc1ccc2ncc(F)c(CN(CCC[C@@H]3CN(c4ccc5c(c4)NC(=O)CO5)C(=O)O3)CCO[Si](C)(C)C(C)(C)C)c2n1
• InChI: InChI=1S/C32H42FN5O6Si/c1-32(2,3)45(5,6)43-15-14-37(19-23-24(33)17-34-25-10-12-29(41-4)36-30(23)25)13-7-8-22-18-38(31(40)44-22)21-9-11-27-26(16-21)35-28(39)20-42-27/h9-12,16-17,22H,7-8,13-15,18-20H2,1-6H3,(H,35,39)/t22-/m1/s1
• InChIKey: HEOMTVDCNUELDK-JOCHJYFZSA-N
• XLogP: 5.74
• TPSA: 115.35 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 12
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	639.80
LogP ≤ 5	5.74
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-[(5R)-5-[3-[2-[tert-butyl(dimethyl)silyl]oxyethyl-[(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)methyl]amino]propyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-1,4-benzoxazin-3-one?

The IUPAC name of 6-[(5R)-5-[3-[2-[tert-butyl(dimethyl)silyl]oxyethyl-[(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)methyl]amino]propyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-1,4-benzoxazin-3-one (CID 66737866) is 6-[(5R)-5-[3-[2-[tert-butyl(dimethyl)silyl]oxyethyl-[(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)methyl]amino]propyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-1,4-benzoxazin-3-one.

What is the SMILES notation for 6-[(5R)-5-[3-[2-[tert-butyl(dimethyl)silyl]oxyethyl-[(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)methyl]amino]propyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-1,4-benzoxazin-3-one?

The canonical SMILES for 6-[(5R)-5-[3-[2-[tert-butyl(dimethyl)silyl]oxyethyl-[(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)methyl]amino]propyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-1,4-benzoxazin-3-one is COc1ccc2ncc(F)c(CN(CCC[C@@H]3CN(c4ccc5c(c4)NC(=O)CO5)C(=O)O3)CCO[Si](C)(C)C(C)(C)C)c2n1.

What is the InChIKey of 6-[(5R)-5-[3-[2-[tert-butyl(dimethyl)silyl]oxyethyl-[(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)methyl]amino]propyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-1,4-benzoxazin-3-one?

The InChIKey is HEOMTVDCNUELDK-JOCHJYFZSA-N. The full InChI is InChI=1S/C32H42FN5O6Si/c1-32(2,3)45(5,6)43-15-14-37(19-23-24(33)17-34-25-10-12-29(41-4)36-30(23)25)13-7-8-22-18-38(31(40)44-22)21-9-11-27-26(16-21)35-28(39)20-42-27/h9-12,16-17,22H,7-8,13-15,18-20H2,1-6H3,(H,35,39)/t22-/m1/s1.

What are the key properties of 6-[(5R)-5-[3-[2-[tert-butyl(dimethyl)silyl]oxyethyl-[(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)methyl]amino]propyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-1,4-benzoxazin-3-one?

6-[(5R)-5-[3-[2-[tert-butyl(dimethyl)silyl]oxyethyl-[(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)methyl]amino]propyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-1,4-benzoxazin-3-one has a molecular weight of 639.80 g/mol, XLogP of 5.74, 12 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(5R)-5-[3-[2-[tert-butyl(dimethyl)silyl]oxyethyl-[(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)methyl]amino]propyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-1,4-benzoxazin-3-one is sourced from PubChem (CID 66737866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).