N-[[(5S)-3-[3-fluoro-4-[4-[2-(5-nitro-1H-indol-3-yl)-2-oxoacetyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

C26H25FN6O7 — CID 44579384

About N-[[(5S)-3-[3-fluoro-4-[4-[2-(5-nitro-1H-indol-3-yl)-2-oxoacetyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

N-[[(5S)-3-[3-fluoro-4-[4-[2-(5-nitro-1H-indol-3-yl)-2-oxoacetyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 44579384) has the molecular formula C26H25FN6O7 and a molecular weight of 552.52 g/mol. Its IUPAC name is N-[[(5S)-3-[3-fluoro-4-[4-[2-(5-nitro-1H-indol-3-yl)-2-oxoacetyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

• Compound Name: N-[[(5S)-3-[3-fluoro-4-[4-[2-(5-nitro-1H-indol-3-yl)-2-oxoacetyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
• PubChem CID: 44579384
• Molecular Formula: C26H25FN6O7
• Molecular Weight: 552.52 g/mol
• Exact Mass: 552.18
• IUPAC Name: N-[[(5S)-3-[3-fluoro-4-[4-[2-(5-nitro-1H-indol-3-yl)-2-oxoacetyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
• SMILES: CC(=O)NC[C@H]1CN(c2ccc(N3CCN(C(=O)C(=O)c4c[nH]c5ccc([N+](=O)[O-])cc45)CC3)c(F)c2)C(=O)O1
• InChI: InChI=1S/C26H25FN6O7/c1-15(34)28-12-18-14-32(26(37)40-18)16-3-5-23(21(27)11-16)30-6-8-31(9-7-30)25(36)24(35)20-13-29-22-4-2-17(33(38)39)10-19(20)22/h2-5,10-11,13,18,29H,6-9,12,14H2,1H3,(H,28,34)/t18-/m0/s1
• InChIKey: UZGMUWOZKSJNIQ-SFHVURJKSA-N
• XLogP: 2.21
• TPSA: 158.19 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	552.52
LogP ≤ 5	2.21
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'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-[[(5S)-3-[3-fluoro-4-[4-[2-(5-nitro-1H-indol-3-yl)-2-oxoacetyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?

The IUPAC name of N-[[(5S)-3-[3-fluoro-4-[4-[2-(5-nitro-1H-indol-3-yl)-2-oxoacetyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 44579384) is N-[[(5S)-3-[3-fluoro-4-[4-[2-(5-nitro-1H-indol-3-yl)-2-oxoacetyl]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-[2-(5-nitro-1H-indol-3-yl)-2-oxoacetyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?

The canonical SMILES for N-[[(5S)-3-[3-fluoro-4-[4-[2-(5-nitro-1H-indol-3-yl)-2-oxoacetyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NC[C@H]1CN(c2ccc(N3CCN(C(=O)C(=O)c4c[nH]c5ccc([N+](=O)[O-])cc45)CC3)c(F)c2)C(=O)O1.

What is the InChIKey of N-[[(5S)-3-[3-fluoro-4-[4-[2-(5-nitro-1H-indol-3-yl)-2-oxoacetyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?

The InChIKey is UZGMUWOZKSJNIQ-SFHVURJKSA-N. The full InChI is InChI=1S/C26H25FN6O7/c1-15(34)28-12-18-14-32(26(37)40-18)16-3-5-23(21(27)11-16)30-6-8-31(9-7-30)25(36)24(35)20-13-29-22-4-2-17(33(38)39)10-19(20)22/h2-5,10-11,13,18,29H,6-9,12,14H2,1H3,(H,28,34)/t18-/m0/s1.

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

N-[[(5S)-3-[3-fluoro-4-[4-[2-(5-nitro-1H-indol-3-yl)-2-oxoacetyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 552.52 g/mol, XLogP of 2.21, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[(5S)-3-[3-fluoro-4-[4-[2-(5-nitro-1H-indol-3-yl)-2-oxoacetyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 44579384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).