About [(5R)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl 3-(diethylamino)propanoate
[(5R)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl 3-(diethylamino)propanoate (PubChem CID 162510114) has the molecular formula C24H28FN7O4
and a molecular weight of 497.53 g/mol. Its IUPAC name is [(5R)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl 3-(diethylamino)propanoate.
Molecular Properties
| Compound Name | [(5R)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl 3-(diethylamino)propanoate |
|---|
| PubChem CID | 162510114 |
|---|
| Molecular Formula | C24H28FN7O4 |
|---|
| Molecular Weight | 497.53 g/mol |
|---|
| Exact Mass | 497.22 |
|---|
| IUPAC Name | [(5R)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl 3-(diethylamino)propanoate |
|---|
| SMILES | CCN(CC)CCC(=O)OC[C@H]1CN(c2ccc(-c3ccc(-c4nnn(C)n4)nc3)c(F)c2)C(=O)O1 |
|---|
| InChI | InChI=1S/C24H28FN7O4/c1-4-31(5-2)11-10-22(33)35-15-18-14-32(24(34)36-18)17-7-8-19(20(25)12-17)16-6-9-21(26-13-16)23-27-29-30(3)28-23/h6-9,12-13,18H,4-5,10-11,14-15H2,1-3H3/t18-/m1/s1 |
|---|
| InChIKey | DHAGNWVVVLHHFJ-GOSISDBHSA-N |
|---|
| XLogP | 2.68 |
|---|
| TPSA | 115.57 Ų |
|---|
| H-Bond Donors | |
|---|
| H-Bond Acceptors | 10 |
|---|
| Rotatable Bonds | 10 |
|---|
| Heavy Atoms | 36 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 497.53 |
| LogP ≤ 5 | 2.68 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 10 |
Analyze [(5R)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl 3-(diethylamino)propanoate 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 [(5R)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl 3-(diethylamino)propanoate?
The IUPAC name of [(5R)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl 3-(diethylamino)propanoate (CID 162510114) is [(5R)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl 3-(diethylamino)propanoate.
What is the SMILES notation for [(5R)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl 3-(diethylamino)propanoate?
The canonical SMILES for [(5R)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl 3-(diethylamino)propanoate is CCN(CC)CCC(=O)OC[C@H]1CN(c2ccc(-c3ccc(-c4nnn(C)n4)nc3)c(F)c2)C(=O)O1.
What is the InChIKey of [(5R)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl 3-(diethylamino)propanoate?
The InChIKey is DHAGNWVVVLHHFJ-GOSISDBHSA-N. The full InChI is InChI=1S/C24H28FN7O4/c1-4-31(5-2)11-10-22(33)35-15-18-14-32(24(34)36-18)17-7-8-19(20(25)12-17)16-6-9-21(26-13-16)23-27-29-30(3)28-23/h6-9,12-13,18H,4-5,10-11,14-15H2,1-3H3/t18-/m1/s1.
What are the key properties of [(5R)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl 3-(diethylamino)propanoate?
[(5R)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl 3-(diethylamino)propanoate has a molecular weight of 497.53 g/mol, XLogP of 2.68, 10 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [(5R)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl 3-(diethylamino)propanoate is sourced from PubChem (CID 162510114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).