N-[[3-[3-fluoro-4-[4-morpholin-4-yl-2-[(2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-yl)oxy]pyrimidin-5-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

C26H27FN8O8 — CID 68542442

About N-[[3-[3-fluoro-4-[4-morpholin-4-yl-2-[(2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-yl)oxy]pyrimidin-5-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

N-[[3-[3-fluoro-4-[4-morpholin-4-yl-2-[(2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-yl)oxy]pyrimidin-5-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 68542442) has the molecular formula C26H27FN8O8 and a molecular weight of 598.55 g/mol. Its IUPAC name is N-[[3-[3-fluoro-4-[4-morpholin-4-yl-2-[(2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-yl)oxy]pyrimidin-5-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

• Compound Name: N-[[3-[3-fluoro-4-[4-morpholin-4-yl-2-[(2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-yl)oxy]pyrimidin-5-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
• PubChem CID: 68542442
• Molecular Formula: C26H27FN8O8
• Molecular Weight: 598.55 g/mol
• Exact Mass: 598.19
• IUPAC Name: N-[[3-[3-fluoro-4-[4-morpholin-4-yl-2-[(2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-yl)oxy]pyrimidin-5-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
• SMILES: CC(=O)NCC1CN(c2ccc(-c3cnc(OC4COc5nc([N+](=O)[O-])cn5C4)nc3N3CCOCC3)c(F)c2)C(=O)O1
• InChI: InChI=1S/C26H27FN8O8/c1-15(36)28-9-17-12-34(26(37)43-17)16-2-3-19(21(27)8-16)20-10-29-24(31-23(20)32-4-6-40-7-5-32)42-18-11-33-13-22(35(38)39)30-25(33)41-14-18/h2-3,8,10,13,17-18H,4-7,9,11-12,14H2,1H3,(H,28,36)
• InChIKey: CHXODFZNAUSSFX-UHFFFAOYSA-N
• XLogP: 1.53
• TPSA: 176.31 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 13
• Rotatable Bonds: 8
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	598.55
LogP ≤ 5	1.53
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[[3-[3-fluoro-4-[4-morpholin-4-yl-2-[(2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-yl)oxy]pyrimidin-5-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?

The IUPAC name of N-[[3-[3-fluoro-4-[4-morpholin-4-yl-2-[(2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-yl)oxy]pyrimidin-5-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 68542442) is N-[[3-[3-fluoro-4-[4-morpholin-4-yl-2-[(2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-yl)oxy]pyrimidin-5-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

What is the SMILES notation for N-[[3-[3-fluoro-4-[4-morpholin-4-yl-2-[(2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-yl)oxy]pyrimidin-5-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?

The canonical SMILES for N-[[3-[3-fluoro-4-[4-morpholin-4-yl-2-[(2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-yl)oxy]pyrimidin-5-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NCC1CN(c2ccc(-c3cnc(OC4COc5nc([N+](=O)[O-])cn5C4)nc3N3CCOCC3)c(F)c2)C(=O)O1.

What is the InChIKey of N-[[3-[3-fluoro-4-[4-morpholin-4-yl-2-[(2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-yl)oxy]pyrimidin-5-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?

The InChIKey is CHXODFZNAUSSFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27FN8O8/c1-15(36)28-9-17-12-34(26(37)43-17)16-2-3-19(21(27)8-16)20-10-29-24(31-23(20)32-4-6-40-7-5-32)42-18-11-33-13-22(35(38)39)30-25(33)41-14-18/h2-3,8,10,13,17-18H,4-7,9,11-12,14H2,1H3,(H,28,36).

What are the key properties of N-[[3-[3-fluoro-4-[4-morpholin-4-yl-2-[(2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-yl)oxy]pyrimidin-5-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?

N-[[3-[3-fluoro-4-[4-morpholin-4-yl-2-[(2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-yl)oxy]pyrimidin-5-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 598.55 g/mol, XLogP of 1.53, 8 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[3-[3-fluoro-4-[4-morpholin-4-yl-2-[(2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-yl)oxy]pyrimidin-5-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 68542442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).