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

C24H24FN5O5S — CID 15541046

About N-[[(5S)-3-[3-fluoro-4-[4-(3-thiophen-2-yl-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-thiophen-2-yl-1,2-oxazole-5-carbonyl)piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 15541046) has the molecular formula C24H24FN5O5S and a molecular weight of 513.55 g/mol. Its IUPAC name is N-[[(5S)-3-[3-fluoro-4-[4-(3-thiophen-2-yl-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-thiophen-2-yl-1,2-oxazole-5-carbonyl)piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
• PubChem CID: 15541046
• Molecular Formula: C24H24FN5O5S
• Molecular Weight: 513.55 g/mol
• Exact Mass: 513.15
• IUPAC Name: N-[[(5S)-3-[3-fluoro-4-[4-(3-thiophen-2-yl-1,2-oxazole-5-carbonyl)piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
• SMILES: CC(=O)NC[C@H]1CN(c2ccc(N3CCN(C(=O)c4cc(-c5cccs5)no4)CC3)c(F)c2)C(=O)O1
• InChI: InChI=1S/C24H24FN5O5S/c1-15(31)26-13-17-14-30(24(33)34-17)16-4-5-20(18(25)11-16)28-6-8-29(9-7-28)23(32)21-12-19(27-35-21)22-3-2-10-36-22/h2-5,10-12,17H,6-9,13-14H2,1H3,(H,26,31)/t17-/m0/s1
• InChIKey: RYWKKMYBMSIWCL-KRWDZBQOSA-N
• XLogP: 2.97
• TPSA: 108.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	513.55
LogP ≤ 5	2.97
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-thiophen-2-yl-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-thiophen-2-yl-1,2-oxazole-5-carbonyl)piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 15541046) is N-[[(5S)-3-[3-fluoro-4-[4-(3-thiophen-2-yl-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-thiophen-2-yl-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-thiophen-2-yl-1,2-oxazole-5-carbonyl)piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NC[C@H]1CN(c2ccc(N3CCN(C(=O)c4cc(-c5cccs5)no4)CC3)c(F)c2)C(=O)O1.

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

The InChIKey is RYWKKMYBMSIWCL-KRWDZBQOSA-N. The full InChI is InChI=1S/C24H24FN5O5S/c1-15(31)26-13-17-14-30(24(33)34-17)16-4-5-20(18(25)11-16)28-6-8-29(9-7-28)23(32)21-12-19(27-35-21)22-3-2-10-36-22/h2-5,10-12,17H,6-9,13-14H2,1H3,(H,26,31)/t17-/m0/s1.

What are the key properties of N-[[(5S)-3-[3-fluoro-4-[4-(3-thiophen-2-yl-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-thiophen-2-yl-1,2-oxazole-5-carbonyl)piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 513.55 g/mol, XLogP of 2.97, 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-thiophen-2-yl-1,2-oxazole-5-carbonyl)piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 15541046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).