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

C19H23FN6O4 — CID 154442906

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

N-[[(5S)-3-[3-fluoro-4-[4-(5-oxo-4H-imidazol-3-yl)piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 154442906) has the molecular formula C19H23FN6O4 and a molecular weight of 418.43 g/mol. Its IUPAC name is N-[[(5S)-3-[3-fluoro-4-[4-(5-oxo-4H-imidazol-3-yl)piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

• Compound Name: N-[[(5S)-3-[3-fluoro-4-[4-(5-oxo-4H-imidazol-3-yl)piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
• PubChem CID: 154442906
• Molecular Formula: C19H23FN6O4
• Molecular Weight: 418.43 g/mol
• Exact Mass: 418.18
• IUPAC Name: N-[[(5S)-3-[3-fluoro-4-[4-(5-oxo-4H-imidazol-3-yl)piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
• SMILES: CC(=O)NC[C@H]1CN(c2ccc(N3CCN(N4C=NC(=O)C4)CC3)c(F)c2)C(=O)O1
• InChI: InChI=1S/C19H23FN6O4/c1-13(27)21-9-15-10-26(19(29)30-15)14-2-3-17(16(20)8-14)23-4-6-24(7-5-23)25-11-18(28)22-12-25/h2-3,8,12,15H,4-7,9-11H2,1H3,(H,21,27)/t15-/m0/s1
• InChIKey: ARWSBSRQLXKQQE-HNNXBMFYSA-N
• XLogP: 0.19
• TPSA: 97.79 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	418.43
LogP ≤ 5	0.19
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

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-(5-oxo-4H-imidazol-3-yl)piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?

The IUPAC name of N-[[(5S)-3-[3-fluoro-4-[4-(5-oxo-4H-imidazol-3-yl)piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 154442906) is N-[[(5S)-3-[3-fluoro-4-[4-(5-oxo-4H-imidazol-3-yl)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-(5-oxo-4H-imidazol-3-yl)piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?

The canonical SMILES for N-[[(5S)-3-[3-fluoro-4-[4-(5-oxo-4H-imidazol-3-yl)piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NC[C@H]1CN(c2ccc(N3CCN(N4C=NC(=O)C4)CC3)c(F)c2)C(=O)O1.

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

The InChIKey is ARWSBSRQLXKQQE-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H23FN6O4/c1-13(27)21-9-15-10-26(19(29)30-15)14-2-3-17(16(20)8-14)23-4-6-24(7-5-23)25-11-18(28)22-12-25/h2-3,8,12,15H,4-7,9-11H2,1H3,(H,21,27)/t15-/m0/s1.

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

N-[[(5S)-3-[3-fluoro-4-[4-(5-oxo-4H-imidazol-3-yl)piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 418.43 g/mol, XLogP of 0.19, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[(5S)-3-[3-fluoro-4-[4-(5-oxo-4H-imidazol-3-yl)piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 154442906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).