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

C21H26FN7O5 — CID 45113917

IUPACN-[[(5S)-3-[3-fluoro-4-[4-[2-(2-nitroimidazol-1-yl)ethyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(N3CCN(CCn4ccnc4[N+](=O)[O-])CC3)c(F)c2)C(=O)O1
InChIInChI=1S/C21H26FN7O5/c1-15(30)24-13-17-14-28(21(31)34-17)16-2-3-19(18(22)12-16)26-9-6-25(7-10-26)8-11-27-5-4-23-20(27)29(32)33/h2-5,12,17H,6-11,13-14H2,1H3,(H,24,30)/t17-/m0/s1
InChIKeyOSDTZCKUJMDLHD-KRWDZBQOSA-N
MW475.48 g/mol
LogP1.21
Rot. Bonds8

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

N-[[(5S)-3-[3-fluoro-4-[4-[2-(2-nitroimidazol-1-yl)ethyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 45113917) has the molecular formula C21H26FN7O5 and a molecular weight of 475.48 g/mol. Its IUPAC name is N-[[(5S)-3-[3-fluoro-4-[4-[2-(2-nitroimidazol-1-yl)ethyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(5S)-3-[3-fluoro-4-[4-[2-(2-nitroimidazol-1-yl)ethyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID45113917
Molecular FormulaC21H26FN7O5
Molecular Weight475.48 g/mol
Exact Mass475.20
IUPAC NameN-[[(5S)-3-[3-fluoro-4-[4-[2-(2-nitroimidazol-1-yl)ethyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(N3CCN(CCn4ccnc4[N+](=O)[O-])CC3)c(F)c2)C(=O)O1
InChIInChI=1S/C21H26FN7O5/c1-15(30)24-13-17-14-28(21(31)34-17)16-2-3-19(18(22)12-16)26-9-6-25(7-10-26)8-11-27-5-4-23-20(27)29(32)33/h2-5,12,17H,6-11,13-14H2,1H3,(H,24,30)/t17-/m0/s1
InChIKeyOSDTZCKUJMDLHD-KRWDZBQOSA-N
XLogP1.21
TPSA126.08 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.48
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[[(5S)-3-[3-fluoro-4-[4-[2-(2-nitroimidazol-1-yl)ethyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-3-[3-fluoro-4-[4-[2-(2-nitroimidazol-1-yl)ethyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[(5S)-3-[3-fluoro-4-[4-[2-(2-nitroimidazol-1-yl)ethyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 45113917) is N-[[(5S)-3-[3-fluoro-4-[4-[2-(2-nitroimidazol-1-yl)ethyl]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-[2-(2-nitroimidazol-1-yl)ethyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[(5S)-3-[3-fluoro-4-[4-[2-(2-nitroimidazol-1-yl)ethyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NC[C@H]1CN(c2ccc(N3CCN(CCn4ccnc4[N+](=O)[O-])CC3)c(F)c2)C(=O)O1.
What is the InChIKey of N-[[(5S)-3-[3-fluoro-4-[4-[2-(2-nitroimidazol-1-yl)ethyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is OSDTZCKUJMDLHD-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H26FN7O5/c1-15(30)24-13-17-14-28(21(31)34-17)16-2-3-19(18(22)12-16)26-9-6-25(7-10-26)8-11-27-5-4-23-20(27)29(32)33/h2-5,12,17H,6-11,13-14H2,1H3,(H,24,30)/t17-/m0/s1.
What are the key properties of N-[[(5S)-3-[3-fluoro-4-[4-[2-(2-nitroimidazol-1-yl)ethyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[(5S)-3-[3-fluoro-4-[4-[2-(2-nitroimidazol-1-yl)ethyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 475.48 g/mol, XLogP of 1.21, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5S)-3-[3-fluoro-4-[4-[2-(2-nitroimidazol-1-yl)ethyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 45113917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).