N-[[4-[4-[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]piperazin-1-yl]-4-oxobutanoyl]phenyl]methyl]-2-amino-N-methylacetamide

C30H37FN6O6 — CID 10077248

About N-[[4-[4-[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]piperazin-1-yl]-4-oxobutanoyl]phenyl]methyl]-2-amino-N-methylacetamide

N-[[4-[4-[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]piperazin-1-yl]-4-oxobutanoyl]phenyl]methyl]-2-amino-N-methylacetamide (PubChem CID 10077248) has the molecular formula C30H37FN6O6 and a molecular weight of 596.66 g/mol. Its IUPAC name is N-[[4-[4-[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]piperazin-1-yl]-4-oxobutanoyl]phenyl]methyl]-2-amino-N-methylacetamide.

Molecular Properties

• Compound Name: N-[[4-[4-[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]piperazin-1-yl]-4-oxobutanoyl]phenyl]methyl]-2-amino-N-methylacetamide
• PubChem CID: 10077248
• Molecular Formula: C30H37FN6O6
• Molecular Weight: 596.66 g/mol
• Exact Mass: 596.28
• IUPAC Name: N-[[4-[4-[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]piperazin-1-yl]-4-oxobutanoyl]phenyl]methyl]-2-amino-N-methylacetamide
• SMILES: CC(=O)NC[C@H]1CN(c2ccc(N3CCN(C(=O)CCC(=O)c4ccc(CN(C)C(=O)CN)cc4)CC3)c(F)c2)C(=O)O1
• InChI: InChI=1S/C30H37FN6O6/c1-20(38)33-17-24-19-37(30(42)43-24)23-7-8-26(25(31)15-23)35-11-13-36(14-12-35)28(40)10-9-27(39)22-5-3-21(4-6-22)18-34(2)29(41)16-32/h3-8,15,24H,9-14,16-19,32H2,1-2H3,(H,33,38)/t24-/m0/s1
• InChIKey: QRQVLUZJPHFVIH-DEOSSOPVSA-N
• XLogP: 1.52
• TPSA: 145.59 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	596.66
LogP ≤ 5	1.52
H-Bond Donors ≤ 5	2
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-[[4-[4-[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]piperazin-1-yl]-4-oxobutanoyl]phenyl]methyl]-2-amino-N-methylacetamide?

The IUPAC name of N-[[4-[4-[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]piperazin-1-yl]-4-oxobutanoyl]phenyl]methyl]-2-amino-N-methylacetamide (CID 10077248) is N-[[4-[4-[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]piperazin-1-yl]-4-oxobutanoyl]phenyl]methyl]-2-amino-N-methylacetamide.

What is the SMILES notation for N-[[4-[4-[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]piperazin-1-yl]-4-oxobutanoyl]phenyl]methyl]-2-amino-N-methylacetamide?

The canonical SMILES for N-[[4-[4-[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]piperazin-1-yl]-4-oxobutanoyl]phenyl]methyl]-2-amino-N-methylacetamide is CC(=O)NC[C@H]1CN(c2ccc(N3CCN(C(=O)CCC(=O)c4ccc(CN(C)C(=O)CN)cc4)CC3)c(F)c2)C(=O)O1.

What is the InChIKey of N-[[4-[4-[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]piperazin-1-yl]-4-oxobutanoyl]phenyl]methyl]-2-amino-N-methylacetamide?

The InChIKey is QRQVLUZJPHFVIH-DEOSSOPVSA-N. The full InChI is InChI=1S/C30H37FN6O6/c1-20(38)33-17-24-19-37(30(42)43-24)23-7-8-26(25(31)15-23)35-11-13-36(14-12-35)28(40)10-9-27(39)22-5-3-21(4-6-22)18-34(2)29(41)16-32/h3-8,15,24H,9-14,16-19,32H2,1-2H3,(H,33,38)/t24-/m0/s1.

What are the key properties of N-[[4-[4-[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]piperazin-1-yl]-4-oxobutanoyl]phenyl]methyl]-2-amino-N-methylacetamide?

N-[[4-[4-[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]piperazin-1-yl]-4-oxobutanoyl]phenyl]methyl]-2-amino-N-methylacetamide has a molecular weight of 596.66 g/mol, XLogP of 1.52, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[4-[4-[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]piperazin-1-yl]-4-oxobutanoyl]phenyl]methyl]-2-amino-N-methylacetamide is sourced from PubChem (CID 10077248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).