tert-butyl N-[[(5S)-3-[4-[4-[4-[4-[(dimethylamino)methyl]phenyl]-4-hydroxybutanoyl]piperazin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate

C32H44FN5O6 — CID 142898142

About tert-butyl N-[[(5S)-3-[4-[4-[4-[4-[(dimethylamino)methyl]phenyl]-4-hydroxybutanoyl]piperazin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate

tert-butyl N-[[(5S)-3-[4-[4-[4-[4-[(dimethylamino)methyl]phenyl]-4-hydroxybutanoyl]piperazin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate (PubChem CID 142898142) has the molecular formula C32H44FN5O6 and a molecular weight of 613.73 g/mol. Its IUPAC name is tert-butyl N-[[(5S)-3-[4-[4-[4-[4-[(dimethylamino)methyl]phenyl]-4-hydroxybutanoyl]piperazin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate.

Molecular Properties

• Compound Name: tert-butyl N-[[(5S)-3-[4-[4-[4-[4-[(dimethylamino)methyl]phenyl]-4-hydroxybutanoyl]piperazin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate
• PubChem CID: 142898142
• Molecular Formula: C32H44FN5O6
• Molecular Weight: 613.73 g/mol
• Exact Mass: 613.33
• IUPAC Name: tert-butyl N-[[(5S)-3-[4-[4-[4-[4-[(dimethylamino)methyl]phenyl]-4-hydroxybutanoyl]piperazin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate
• SMILES: CN(C)Cc1ccc(C(O)CCC(=O)N2CCN(c3ccc(N4C[C@H](CNC(=O)OC(C)(C)C)OC4=O)cc3F)CC2)cc1
• InChI: InChI=1S/C32H44FN5O6/c1-32(2,3)44-30(41)34-19-25-21-38(31(42)43-25)24-10-11-27(26(33)18-24)36-14-16-37(17-15-36)29(40)13-12-28(39)23-8-6-22(7-9-23)20-35(4)5/h6-11,18,25,28,39H,12-17,19-21H2,1-5H3,(H,34,41)/t25-,28?/m0/s1
• InChIKey: KUXFJTITLUZSJT-ALLRNTDFSA-N
• XLogP: 3.90
• TPSA: 114.89 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	613.73
LogP ≤ 5	3.90
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 tert-butyl N-[[(5S)-3-[4-[4-[4-[4-[(dimethylamino)methyl]phenyl]-4-hydroxybutanoyl]piperazin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate?

The IUPAC name of tert-butyl N-[[(5S)-3-[4-[4-[4-[4-[(dimethylamino)methyl]phenyl]-4-hydroxybutanoyl]piperazin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate (CID 142898142) is tert-butyl N-[[(5S)-3-[4-[4-[4-[4-[(dimethylamino)methyl]phenyl]-4-hydroxybutanoyl]piperazin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate.

What is the SMILES notation for tert-butyl N-[[(5S)-3-[4-[4-[4-[4-[(dimethylamino)methyl]phenyl]-4-hydroxybutanoyl]piperazin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate?

The canonical SMILES for tert-butyl N-[[(5S)-3-[4-[4-[4-[4-[(dimethylamino)methyl]phenyl]-4-hydroxybutanoyl]piperazin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate is CN(C)Cc1ccc(C(O)CCC(=O)N2CCN(c3ccc(N4C[C@H](CNC(=O)OC(C)(C)C)OC4=O)cc3F)CC2)cc1.

What is the InChIKey of tert-butyl N-[[(5S)-3-[4-[4-[4-[4-[(dimethylamino)methyl]phenyl]-4-hydroxybutanoyl]piperazin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate?

The InChIKey is KUXFJTITLUZSJT-ALLRNTDFSA-N. The full InChI is InChI=1S/C32H44FN5O6/c1-32(2,3)44-30(41)34-19-25-21-38(31(42)43-25)24-10-11-27(26(33)18-24)36-14-16-37(17-15-36)29(40)13-12-28(39)23-8-6-22(7-9-23)20-35(4)5/h6-11,18,25,28,39H,12-17,19-21H2,1-5H3,(H,34,41)/t25-,28?/m0/s1.

What are the key properties of tert-butyl N-[[(5S)-3-[4-[4-[4-[4-[(dimethylamino)methyl]phenyl]-4-hydroxybutanoyl]piperazin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate?

tert-butyl N-[[(5S)-3-[4-[4-[4-[4-[(dimethylamino)methyl]phenyl]-4-hydroxybutanoyl]piperazin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate has a molecular weight of 613.73 g/mol, XLogP of 3.90, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[[(5S)-3-[4-[4-[4-[4-[(dimethylamino)methyl]phenyl]-4-hydroxybutanoyl]piperazin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate is sourced from PubChem (CID 142898142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).