N-[[(5S)-3-[3-fluoro-4-[4-(3-methoxy-1,2-oxazole-5-carbonyl)piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

C21H24FN5O6 — CID 15541040

About N-[[(5S)-3-[3-fluoro-4-[4-(3-methoxy-1,2-oxazole-5-carbonyl)piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

N-[[(5S)-3-[3-fluoro-4-[4-(3-methoxy-1,2-oxazole-5-carbonyl)piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 15541040) has the molecular formula C21H24FN5O6 and a molecular weight of 461.45 g/mol. Its IUPAC name is N-[[(5S)-3-[3-fluoro-4-[4-(3-methoxy-1,2-oxazole-5-carbonyl)piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

• Compound Name: N-[[(5S)-3-[3-fluoro-4-[4-(3-methoxy-1,2-oxazole-5-carbonyl)piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
• PubChem CID: 15541040
• Molecular Formula: C21H24FN5O6
• Molecular Weight: 461.45 g/mol
• Exact Mass: 461.17
• IUPAC Name: N-[[(5S)-3-[3-fluoro-4-[4-(3-methoxy-1,2-oxazole-5-carbonyl)piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
• SMILES: COc1cc(C(=O)N2CCN(c3ccc(N4C[C@H](CNC(C)=O)OC4=O)cc3F)CC2)on1
• InChI: InChI=1S/C21H24FN5O6/c1-13(28)23-11-15-12-27(21(30)32-15)14-3-4-17(16(22)9-14)25-5-7-26(8-6-25)20(29)18-10-19(31-2)24-33-18/h3-4,9-10,15H,5-8,11-12H2,1-2H3,(H,23,28)/t15-/m0/s1
• InChIKey: AFGZPJQZGUOYGF-HNNXBMFYSA-N
• XLogP: 1.25
• TPSA: 117.45 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	461.45
LogP ≤ 5	1.25
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-3-[3-fluoro-4-[4-(3-methoxy-1,2-oxazole-5-carbonyl)piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?

The IUPAC name of N-[[(5S)-3-[3-fluoro-4-[4-(3-methoxy-1,2-oxazole-5-carbonyl)piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 15541040) is N-[[(5S)-3-[3-fluoro-4-[4-(3-methoxy-1,2-oxazole-5-carbonyl)piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

What is the SMILES notation for N-[[(5S)-3-[3-fluoro-4-[4-(3-methoxy-1,2-oxazole-5-carbonyl)piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?

The canonical SMILES for N-[[(5S)-3-[3-fluoro-4-[4-(3-methoxy-1,2-oxazole-5-carbonyl)piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is COc1cc(C(=O)N2CCN(c3ccc(N4C[C@H](CNC(C)=O)OC4=O)cc3F)CC2)on1.

What is the InChIKey of N-[[(5S)-3-[3-fluoro-4-[4-(3-methoxy-1,2-oxazole-5-carbonyl)piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?

The InChIKey is AFGZPJQZGUOYGF-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H24FN5O6/c1-13(28)23-11-15-12-27(21(30)32-15)14-3-4-17(16(22)9-14)25-5-7-26(8-6-25)20(29)18-10-19(31-2)24-33-18/h3-4,9-10,15H,5-8,11-12H2,1-2H3,(H,23,28)/t15-/m0/s1.

What are the key properties of N-[[(5S)-3-[3-fluoro-4-[4-(3-methoxy-1,2-oxazole-5-carbonyl)piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?

N-[[(5S)-3-[3-fluoro-4-[4-(3-methoxy-1,2-oxazole-5-carbonyl)piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 461.45 g/mol, XLogP of 1.25, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[(5S)-3-[3-fluoro-4-[4-(3-methoxy-1,2-oxazole-5-carbonyl)piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 15541040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).