N-[(2S)-1-[4-[2-fluoro-4-[(5S)-5-[3-(1,2-oxazol-5-yl)propyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]piperazin-1-yl]-1-oxopropan-2-yl]pyridine-3-carboxamide

C28H31FN6O5 — CID 58459434

About N-[(2S)-1-[4-[2-fluoro-4-[(5S)-5-[3-(1,2-oxazol-5-yl)propyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]piperazin-1-yl]-1-oxopropan-2-yl]pyridine-3-carboxamide

N-[(2S)-1-[4-[2-fluoro-4-[(5S)-5-[3-(1,2-oxazol-5-yl)propyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]piperazin-1-yl]-1-oxopropan-2-yl]pyridine-3-carboxamide (PubChem CID 58459434) has the molecular formula C28H31FN6O5 and a molecular weight of 550.59 g/mol. Its IUPAC name is N-[(2S)-1-[4-[2-fluoro-4-[(5S)-5-[3-(1,2-oxazol-5-yl)propyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]piperazin-1-yl]-1-oxopropan-2-yl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(2S)-1-[4-[2-fluoro-4-[(5S)-5-[3-(1,2-oxazol-5-yl)propyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]piperazin-1-yl]-1-oxopropan-2-yl]pyridine-3-carboxamide
• PubChem CID: 58459434
• Molecular Formula: C28H31FN6O5
• Molecular Weight: 550.59 g/mol
• Exact Mass: 550.23
• IUPAC Name: N-[(2S)-1-[4-[2-fluoro-4-[(5S)-5-[3-(1,2-oxazol-5-yl)propyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]piperazin-1-yl]-1-oxopropan-2-yl]pyridine-3-carboxamide
• SMILES: C[C@H](NC(=O)c1cccnc1)C(=O)N1CCN(c2ccc(N3C[C@H](CCCc4ccno4)OC3=O)cc2F)CC1
• InChI: InChI=1S/C28H31FN6O5/c1-19(32-26(36)20-4-3-10-30-17-20)27(37)34-14-12-33(13-15-34)25-8-7-21(16-24(25)29)35-18-23(39-28(35)38)6-2-5-22-9-11-31-40-22/h3-4,7-11,16-17,19,23H,2,5-6,12-15,18H2,1H3,(H,32,36)/t19-,23-/m0/s1
• InChIKey: LUWNECBXQDVCGD-CVDCTZTESA-N
• XLogP: 3.02
• TPSA: 121.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	550.59
LogP ≤ 5	3.02
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-[(2S)-1-[4-[2-fluoro-4-[(5S)-5-[3-(1,2-oxazol-5-yl)propyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]piperazin-1-yl]-1-oxopropan-2-yl]pyridine-3-carboxamide?

The IUPAC name of N-[(2S)-1-[4-[2-fluoro-4-[(5S)-5-[3-(1,2-oxazol-5-yl)propyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]piperazin-1-yl]-1-oxopropan-2-yl]pyridine-3-carboxamide (CID 58459434) is N-[(2S)-1-[4-[2-fluoro-4-[(5S)-5-[3-(1,2-oxazol-5-yl)propyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]piperazin-1-yl]-1-oxopropan-2-yl]pyridine-3-carboxamide.

What is the SMILES notation for N-[(2S)-1-[4-[2-fluoro-4-[(5S)-5-[3-(1,2-oxazol-5-yl)propyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]piperazin-1-yl]-1-oxopropan-2-yl]pyridine-3-carboxamide?

The canonical SMILES for N-[(2S)-1-[4-[2-fluoro-4-[(5S)-5-[3-(1,2-oxazol-5-yl)propyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]piperazin-1-yl]-1-oxopropan-2-yl]pyridine-3-carboxamide is C[C@H](NC(=O)c1cccnc1)C(=O)N1CCN(c2ccc(N3C[C@H](CCCc4ccno4)OC3=O)cc2F)CC1.

What is the InChIKey of N-[(2S)-1-[4-[2-fluoro-4-[(5S)-5-[3-(1,2-oxazol-5-yl)propyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]piperazin-1-yl]-1-oxopropan-2-yl]pyridine-3-carboxamide?

The InChIKey is LUWNECBXQDVCGD-CVDCTZTESA-N. The full InChI is InChI=1S/C28H31FN6O5/c1-19(32-26(36)20-4-3-10-30-17-20)27(37)34-14-12-33(13-15-34)25-8-7-21(16-24(25)29)35-18-23(39-28(35)38)6-2-5-22-9-11-31-40-22/h3-4,7-11,16-17,19,23H,2,5-6,12-15,18H2,1H3,(H,32,36)/t19-,23-/m0/s1.

What are the key properties of N-[(2S)-1-[4-[2-fluoro-4-[(5S)-5-[3-(1,2-oxazol-5-yl)propyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]piperazin-1-yl]-1-oxopropan-2-yl]pyridine-3-carboxamide?

N-[(2S)-1-[4-[2-fluoro-4-[(5S)-5-[3-(1,2-oxazol-5-yl)propyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]piperazin-1-yl]-1-oxopropan-2-yl]pyridine-3-carboxamide has a molecular weight of 550.59 g/mol, XLogP of 3.02, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-1-[4-[2-fluoro-4-[(5S)-5-[3-(1,2-oxazol-5-yl)propyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]piperazin-1-yl]-1-oxopropan-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 58459434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).