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

C25H26F2N6O4 — CID 11555316

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

N-[[(5S)-3-[3-fluoro-4-[4-[3-fluoro-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 11555316) has the molecular formula C25H26F2N6O4 and a molecular weight of 512.52 g/mol. Its IUPAC name is N-[[(5S)-3-[3-fluoro-4-[4-[3-fluoro-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]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-fluoro-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
• PubChem CID: 11555316
• Molecular Formula: C25H26F2N6O4
• Molecular Weight: 512.52 g/mol
• Exact Mass: 512.20
• IUPAC Name: N-[[(5S)-3-[3-fluoro-4-[4-[3-fluoro-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
• SMILES: CC(=O)NC[C@H]1CN(c2ccc(N3CCN(c4ccc(-c5nnc(C)o5)c(F)c4)CC3)c(F)c2)C(=O)O1
• InChI: InChI=1S/C25H26F2N6O4/c1-15(34)28-13-19-14-33(25(35)37-19)18-4-6-23(22(27)12-18)32-9-7-31(8-10-32)17-3-5-20(21(26)11-17)24-30-29-16(2)36-24/h3-6,11-12,19H,7-10,13-14H2,1-2H3,(H,28,34)/t19-/m0/s1
• InChIKey: JBYYQORKEFERSM-IBGZPJMESA-N
• XLogP: 3.11
• TPSA: 104.04 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	512.52
LogP ≤ 5	3.11
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-fluoro-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]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-fluoro-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 11555316) is N-[[(5S)-3-[3-fluoro-4-[4-[3-fluoro-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]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-fluoro-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]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-fluoro-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NC[C@H]1CN(c2ccc(N3CCN(c4ccc(-c5nnc(C)o5)c(F)c4)CC3)c(F)c2)C(=O)O1.

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

The InChIKey is JBYYQORKEFERSM-IBGZPJMESA-N. The full InChI is InChI=1S/C25H26F2N6O4/c1-15(34)28-13-19-14-33(25(35)37-19)18-4-6-23(22(27)12-18)32-9-7-31(8-10-32)17-3-5-20(21(26)11-17)24-30-29-16(2)36-24/h3-6,11-12,19H,7-10,13-14H2,1-2H3,(H,28,34)/t19-/m0/s1.

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

N-[[(5S)-3-[3-fluoro-4-[4-[3-fluoro-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 512.52 g/mol, XLogP of 3.11, 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-fluoro-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 11555316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).