3-[3-fluoro-4-[4-[2-[[1-hydroxy-2-[(1-propylpyrazin-2-ylidene)amino]ethyl]-methylamino]acetyl]piperazin-1-yl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one

C26H36FN7O5 — CID 143999466

About 3-[3-fluoro-4-[4-[2-[[1-hydroxy-2-[(1-propylpyrazin-2-ylidene)amino]ethyl]-methylamino]acetyl]piperazin-1-yl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one

3-[3-fluoro-4-[4-[2-[[1-hydroxy-2-[(1-propylpyrazin-2-ylidene)amino]ethyl]-methylamino]acetyl]piperazin-1-yl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one (PubChem CID 143999466) has the molecular formula C26H36FN7O5 and a molecular weight of 545.62 g/mol. Its IUPAC name is 3-[3-fluoro-4-[4-[2-[[1-hydroxy-2-[(1-propylpyrazin-2-ylidene)amino]ethyl]-methylamino]acetyl]piperazin-1-yl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: 3-[3-fluoro-4-[4-[2-[[1-hydroxy-2-[(1-propylpyrazin-2-ylidene)amino]ethyl]-methylamino]acetyl]piperazin-1-yl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
• PubChem CID: 143999466
• Molecular Formula: C26H36FN7O5
• Molecular Weight: 545.62 g/mol
• Exact Mass: 545.28
• IUPAC Name: 3-[3-fluoro-4-[4-[2-[[1-hydroxy-2-[(1-propylpyrazin-2-ylidene)amino]ethyl]-methylamino]acetyl]piperazin-1-yl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
• SMILES: CCCn1ccnc/c1=N/CC(O)N(C)CC(=O)N1CCN(c2ccc(N3CC(CO)OC3=O)cc2F)CC1
• InChI: InChI=1S/C26H36FN7O5/c1-3-7-32-8-6-28-14-23(32)29-15-24(36)30(2)17-25(37)33-11-9-31(10-12-33)22-5-4-19(13-21(22)27)34-16-20(18-35)39-26(34)38/h4-6,8,13-14,20,24,35-36H,3,7,9-12,15-18H2,1-2H3/b29-23-
• InChIKey: AJFTXMJHMPDRMC-FAJYDZGRSA-N
• XLogP: 0.25
• TPSA: 126.97 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	545.62
LogP ≤ 5	0.25
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[3-fluoro-4-[4-[2-[[1-hydroxy-2-[(1-propylpyrazin-2-ylidene)amino]ethyl]-methylamino]acetyl]piperazin-1-yl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one?

The IUPAC name of 3-[3-fluoro-4-[4-[2-[[1-hydroxy-2-[(1-propylpyrazin-2-ylidene)amino]ethyl]-methylamino]acetyl]piperazin-1-yl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one (CID 143999466) is 3-[3-fluoro-4-[4-[2-[[1-hydroxy-2-[(1-propylpyrazin-2-ylidene)amino]ethyl]-methylamino]acetyl]piperazin-1-yl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one.

What is the SMILES notation for 3-[3-fluoro-4-[4-[2-[[1-hydroxy-2-[(1-propylpyrazin-2-ylidene)amino]ethyl]-methylamino]acetyl]piperazin-1-yl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one?

The canonical SMILES for 3-[3-fluoro-4-[4-[2-[[1-hydroxy-2-[(1-propylpyrazin-2-ylidene)amino]ethyl]-methylamino]acetyl]piperazin-1-yl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one is CCCn1ccnc/c1=N/CC(O)N(C)CC(=O)N1CCN(c2ccc(N3CC(CO)OC3=O)cc2F)CC1.

What is the InChIKey of 3-[3-fluoro-4-[4-[2-[[1-hydroxy-2-[(1-propylpyrazin-2-ylidene)amino]ethyl]-methylamino]acetyl]piperazin-1-yl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one?

The InChIKey is AJFTXMJHMPDRMC-FAJYDZGRSA-N. The full InChI is InChI=1S/C26H36FN7O5/c1-3-7-32-8-6-28-14-23(32)29-15-24(36)30(2)17-25(37)33-11-9-31(10-12-33)22-5-4-19(13-21(22)27)34-16-20(18-35)39-26(34)38/h4-6,8,13-14,20,24,35-36H,3,7,9-12,15-18H2,1-2H3/b29-23-.

What are the key properties of 3-[3-fluoro-4-[4-[2-[[1-hydroxy-2-[(1-propylpyrazin-2-ylidene)amino]ethyl]-methylamino]acetyl]piperazin-1-yl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one?

3-[3-fluoro-4-[4-[2-[[1-hydroxy-2-[(1-propylpyrazin-2-ylidene)amino]ethyl]-methylamino]acetyl]piperazin-1-yl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one has a molecular weight of 545.62 g/mol, XLogP of 0.25, 10 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-fluoro-4-[4-[2-[[1-hydroxy-2-[(1-propylpyrazin-2-ylidene)amino]ethyl]-methylamino]acetyl]piperazin-1-yl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 143999466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).