About N-[[(5S)-3-[4-[4-(5-cyano-2-pyridinyl)piperazin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
N-[[(5S)-3-[4-[4-(5-cyano-2-pyridinyl)piperazin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 10622871) has the molecular formula C22H23FN6O3
and a molecular weight of 438.46 g/mol. Its IUPAC name is N-[[(5S)-3-[4-[4-(5-cyano-2-pyridinyl)piperazin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.
Molecular Properties
| Compound Name | N-[[(5S)-3-[4-[4-(5-cyano-2-pyridinyl)piperazin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide |
|---|
| PubChem CID | 10622871 |
|---|
| Molecular Formula | C22H23FN6O3 |
|---|
| Molecular Weight | 438.46 g/mol |
|---|
| Exact Mass | 438.18 |
|---|
| IUPAC Name | N-[[(5S)-3-[4-[4-(5-cyano-2-pyridinyl)piperazin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide |
|---|
| SMILES | CC(=O)NC[C@H]1CN(c2ccc(N3CCN(c4ccc(C#N)cn4)CC3)c(F)c2)C(=O)O1 |
|---|
| InChI | InChI=1S/C22H23FN6O3/c1-15(30)25-13-18-14-29(22(31)32-18)17-3-4-20(19(23)10-17)27-6-8-28(9-7-27)21-5-2-16(11-24)12-26-21/h2-5,10,12,18H,6-9,13-14H2,1H3,(H,25,30)/t18-/m0/s1 |
|---|
| InChIKey | CUKPPLWSFFQCKN-SFHVURJKSA-N |
|---|
| XLogP | 1.88 |
|---|
| TPSA | 101.80 Ų |
|---|
| H-Bond Donors | 1 |
|---|
| H-Bond Acceptors | 7 |
|---|
| Rotatable Bonds | 5 |
|---|
| Heavy Atoms | 32 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 438.46 |
| LogP ≤ 5 | 1.88 |
| 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-[4-[4-(5-cyano-2-pyridinyl)piperazin-1-yl]-3-fluorophenyl]-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-[4-[4-(5-cyano-2-pyridinyl)piperazin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[(5S)-3-[4-[4-(5-cyano-2-pyridinyl)piperazin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 10622871) is N-[[(5S)-3-[4-[4-(5-cyano-2-pyridinyl)piperazin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[(5S)-3-[4-[4-(5-cyano-2-pyridinyl)piperazin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[(5S)-3-[4-[4-(5-cyano-2-pyridinyl)piperazin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NC[C@H]1CN(c2ccc(N3CCN(c4ccc(C#N)cn4)CC3)c(F)c2)C(=O)O1.
What is the InChIKey of N-[[(5S)-3-[4-[4-(5-cyano-2-pyridinyl)piperazin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is CUKPPLWSFFQCKN-SFHVURJKSA-N. The full InChI is InChI=1S/C22H23FN6O3/c1-15(30)25-13-18-14-29(22(31)32-18)17-3-4-20(19(23)10-17)27-6-8-28(9-7-27)21-5-2-16(11-24)12-26-21/h2-5,10,12,18H,6-9,13-14H2,1H3,(H,25,30)/t18-/m0/s1.
What are the key properties of N-[[(5S)-3-[4-[4-(5-cyano-2-pyridinyl)piperazin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[(5S)-3-[4-[4-(5-cyano-2-pyridinyl)piperazin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 438.46 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5S)-3-[4-[4-(5-cyano-2-pyridinyl)piperazin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 10622871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).