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

C25H27FN4O3S — CID 23403870

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

N-[[(5S)-3-[3-fluoro-4-[4-[[2-(4-methyl-1,3-thiazol-5-yl)ethylamino]methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 23403870) has the molecular formula C25H27FN4O3S and a molecular weight of 482.58 g/mol. Its IUPAC name is N-[[(5S)-3-[3-fluoro-4-[4-[[2-(4-methyl-1,3-thiazol-5-yl)ethylamino]methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

• Compound Name: N-[[(5S)-3-[3-fluoro-4-[4-[[2-(4-methyl-1,3-thiazol-5-yl)ethylamino]methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
• PubChem CID: 23403870
• Molecular Formula: C25H27FN4O3S
• Molecular Weight: 482.58 g/mol
• Exact Mass: 482.18
• IUPAC Name: N-[[(5S)-3-[3-fluoro-4-[4-[[2-(4-methyl-1,3-thiazol-5-yl)ethylamino]methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
• SMILES: CC(=O)NC[C@H]1CN(c2ccc(-c3ccc(CNCCc4scnc4C)cc3)c(F)c2)C(=O)O1
• InChI: InChI=1S/C25H27FN4O3S/c1-16-24(34-15-29-16)9-10-27-12-18-3-5-19(6-4-18)22-8-7-20(11-23(22)26)30-14-21(33-25(30)32)13-28-17(2)31/h3-8,11,15,21,27H,9-10,12-14H2,1-2H3,(H,28,31)/t21-/m0/s1
• InChIKey: PKERPGAZCFNKNQ-NRFANRHFSA-N
• XLogP: 4.05
• TPSA: 83.56 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	482.58
LogP ≤ 5	4.05
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of N-[[(5S)-3-[3-fluoro-4-[4-[[2-(4-methyl-1,3-thiazol-5-yl)ethylamino]methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 23403870) is N-[[(5S)-3-[3-fluoro-4-[4-[[2-(4-methyl-1,3-thiazol-5-yl)ethylamino]methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

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

The canonical SMILES for N-[[(5S)-3-[3-fluoro-4-[4-[[2-(4-methyl-1,3-thiazol-5-yl)ethylamino]methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NC[C@H]1CN(c2ccc(-c3ccc(CNCCc4scnc4C)cc3)c(F)c2)C(=O)O1.

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

The InChIKey is PKERPGAZCFNKNQ-NRFANRHFSA-N. The full InChI is InChI=1S/C25H27FN4O3S/c1-16-24(34-15-29-16)9-10-27-12-18-3-5-19(6-4-18)22-8-7-20(11-23(22)26)30-14-21(33-25(30)32)13-28-17(2)31/h3-8,11,15,21,27H,9-10,12-14H2,1-2H3,(H,28,31)/t21-/m0/s1.

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

N-[[(5S)-3-[3-fluoro-4-[4-[[2-(4-methyl-1,3-thiazol-5-yl)ethylamino]methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 482.58 g/mol, XLogP of 4.05, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[(5S)-3-[3-fluoro-4-[4-[[2-(4-methyl-1,3-thiazol-5-yl)ethylamino]methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 23403870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).