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

C21H26FN5O5 — CID 15541047

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

N-[[(5S)-3-[3-fluoro-4-[4-[(3-methoxy-1,2-oxazol-5-yl)methyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 15541047) has the molecular formula C21H26FN5O5 and a molecular weight of 447.47 g/mol. Its IUPAC name is N-[[(5S)-3-[3-fluoro-4-[4-[(3-methoxy-1,2-oxazol-5-yl)methyl]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-oxazol-5-yl)methyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
• PubChem CID: 15541047
• Molecular Formula: C21H26FN5O5
• Molecular Weight: 447.47 g/mol
• Exact Mass: 447.19
• IUPAC Name: N-[[(5S)-3-[3-fluoro-4-[4-[(3-methoxy-1,2-oxazol-5-yl)methyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
• SMILES: COc1cc(CN2CCN(c3ccc(N4C[C@H](CNC(C)=O)OC4=O)cc3F)CC2)on1
• InChI: InChI=1S/C21H26FN5O5/c1-14(28)23-11-17-13-27(21(29)31-17)15-3-4-19(18(22)9-15)26-7-5-25(6-8-26)12-16-10-20(30-2)24-32-16/h3-4,9-10,17H,5-8,11-13H2,1-2H3,(H,23,28)/t17-/m0/s1
• InChIKey: LBNMNMKUBVCLFZ-KRWDZBQOSA-N
• XLogP: 1.61
• TPSA: 100.38 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	447.47
LogP ≤ 5	1.61
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-oxazol-5-yl)methyl]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-oxazol-5-yl)methyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 15541047) is N-[[(5S)-3-[3-fluoro-4-[4-[(3-methoxy-1,2-oxazol-5-yl)methyl]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-oxazol-5-yl)methyl]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-oxazol-5-yl)methyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is COc1cc(CN2CCN(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-oxazol-5-yl)methyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?

The InChIKey is LBNMNMKUBVCLFZ-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H26FN5O5/c1-14(28)23-11-17-13-27(21(29)31-17)15-3-4-19(18(22)9-15)26-7-5-25(6-8-26)12-16-10-20(30-2)24-32-16/h3-4,9-10,17H,5-8,11-13H2,1-2H3,(H,23,28)/t17-/m0/s1.

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

N-[[(5S)-3-[3-fluoro-4-[4-[(3-methoxy-1,2-oxazol-5-yl)methyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 447.47 g/mol, XLogP of 1.61, 7 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-oxazol-5-yl)methyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 15541047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).