About N-[[(5S)-3-[3-fluoro-4-[4-(3-methylpyrazin-2-yl)piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
N-[[(5S)-3-[3-fluoro-4-[4-(3-methylpyrazin-2-yl)piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 57063301) has the molecular formula C21H25FN6O3
and a molecular weight of 428.47 g/mol. Its IUPAC name is N-[[(5S)-3-[3-fluoro-4-[4-(3-methylpyrazin-2-yl)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-methylpyrazin-2-yl)piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide |
|---|
| PubChem CID | 57063301 |
|---|
| Molecular Formula | C21H25FN6O3 |
|---|
| Molecular Weight | 428.47 g/mol |
|---|
| Exact Mass | 428.20 |
|---|
| IUPAC Name | N-[[(5S)-3-[3-fluoro-4-[4-(3-methylpyrazin-2-yl)piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide |
|---|
| SMILES | CC(=O)NC[C@H]1CN(c2ccc(N3CCN(c4nccnc4C)CC3)c(F)c2)C(=O)O1 |
|---|
| InChI | InChI=1S/C21H25FN6O3/c1-14-20(24-6-5-23-14)27-9-7-26(8-10-27)19-4-3-16(11-18(19)22)28-13-17(31-21(28)30)12-25-15(2)29/h3-6,11,17H,7-10,12-13H2,1-2H3,(H,25,29)/t17-/m0/s1 |
|---|
| InChIKey | ILSNIZWSOFJMEP-KRWDZBQOSA-N |
|---|
| XLogP | 1.71 |
|---|
| TPSA | 90.90 Ų |
|---|
| H-Bond Donors | 1 |
|---|
| H-Bond Acceptors | 7 |
|---|
| Rotatable Bonds | 5 |
|---|
| Heavy Atoms | 31 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 428.47 |
| LogP ≤ 5 | 1.71 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 7 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'} |
|---|
Analyze N-[[(5S)-3-[3-fluoro-4-[4-(3-methylpyrazin-2-yl)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-(3-methylpyrazin-2-yl)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-methylpyrazin-2-yl)piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 57063301) is N-[[(5S)-3-[3-fluoro-4-[4-(3-methylpyrazin-2-yl)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-methylpyrazin-2-yl)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-methylpyrazin-2-yl)piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NC[C@H]1CN(c2ccc(N3CCN(c4nccnc4C)CC3)c(F)c2)C(=O)O1.
What is the InChIKey of N-[[(5S)-3-[3-fluoro-4-[4-(3-methylpyrazin-2-yl)piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is ILSNIZWSOFJMEP-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H25FN6O3/c1-14-20(24-6-5-23-14)27-9-7-26(8-10-27)19-4-3-16(11-18(19)22)28-13-17(31-21(28)30)12-25-15(2)29/h3-6,11,17H,7-10,12-13H2,1-2H3,(H,25,29)/t17-/m0/s1.
What are the key properties of N-[[(5S)-3-[3-fluoro-4-[4-(3-methylpyrazin-2-yl)piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[(5S)-3-[3-fluoro-4-[4-(3-methylpyrazin-2-yl)piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 428.47 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5S)-3-[3-fluoro-4-[4-(3-methylpyrazin-2-yl)piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 57063301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).