About 3-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-5-(3-piperidin-1-ylpropyl)-1,3-oxazolidin-2-one;hydrochloride
3-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-5-(3-piperidin-1-ylpropyl)-1,3-oxazolidin-2-one;hydrochloride (PubChem CID 19602636) has the molecular formula C22H27Cl2N3O3
and a molecular weight of 452.38 g/mol. Its IUPAC name is 3-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-5-(3-piperidin-1-ylpropyl)-1,3-oxazolidin-2-one;hydrochloride.
Molecular Properties
| Compound Name | 3-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-5-(3-piperidin-1-ylpropyl)-1,3-oxazolidin-2-one;hydrochloride |
|---|
| PubChem CID | 19602636 |
|---|
| Molecular Formula | C22H27Cl2N3O3 |
|---|
| Molecular Weight | 452.38 g/mol |
|---|
| Exact Mass | 451.14 |
|---|
| IUPAC Name | 3-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-5-(3-piperidin-1-ylpropyl)-1,3-oxazolidin-2-one;hydrochloride |
|---|
| SMILES | Cl.O=C1OC(CCCN2CCCCC2)CN1/N=C/c1ccc(-c2ccc(Cl)cc2)o1 |
|---|
| InChI | InChI=1S/C22H26ClN3O3.ClH/c23-18-8-6-17(7-9-18)21-11-10-19(28-21)15-24-26-16-20(29-22(26)27)5-4-14-25-12-2-1-3-13-25;/h6-11,15,20H,1-5,12-14,16H2;1H/b24-15+; |
|---|
| InChIKey | RBPFWMSKEYNESD-CFYFISJPSA-N |
|---|
| XLogP | 5.44 |
|---|
| TPSA | 58.28 Ų |
|---|
| H-Bond Donors | |
|---|
| H-Bond Acceptors | 5 |
|---|
| Rotatable Bonds | 7 |
|---|
| Heavy Atoms | 30 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
1 violation
| Rule | Value |
|---|
| MW ≤ 500 | 452.38 |
| LogP ≤ 5 | 5.44 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 5 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'imine_1', 'substructure': 'N/A'} |
|---|
Analyze 3-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-5-(3-piperidin-1-ylpropyl)-1,3-oxazolidin-2-one;hydrochloride 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 3-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-5-(3-piperidin-1-ylpropyl)-1,3-oxazolidin-2-one;hydrochloride?
The IUPAC name of 3-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-5-(3-piperidin-1-ylpropyl)-1,3-oxazolidin-2-one;hydrochloride (CID 19602636) is 3-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-5-(3-piperidin-1-ylpropyl)-1,3-oxazolidin-2-one;hydrochloride.
What is the SMILES notation for 3-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-5-(3-piperidin-1-ylpropyl)-1,3-oxazolidin-2-one;hydrochloride?
The canonical SMILES for 3-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-5-(3-piperidin-1-ylpropyl)-1,3-oxazolidin-2-one;hydrochloride is Cl.O=C1OC(CCCN2CCCCC2)CN1/N=C/c1ccc(-c2ccc(Cl)cc2)o1.
What is the InChIKey of 3-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-5-(3-piperidin-1-ylpropyl)-1,3-oxazolidin-2-one;hydrochloride?
The InChIKey is RBPFWMSKEYNESD-CFYFISJPSA-N. The full InChI is InChI=1S/C22H26ClN3O3.ClH/c23-18-8-6-17(7-9-18)21-11-10-19(28-21)15-24-26-16-20(29-22(26)27)5-4-14-25-12-2-1-3-13-25;/h6-11,15,20H,1-5,12-14,16H2;1H/b24-15+;.
What are the key properties of 3-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-5-(3-piperidin-1-ylpropyl)-1,3-oxazolidin-2-one;hydrochloride?
3-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-5-(3-piperidin-1-ylpropyl)-1,3-oxazolidin-2-one;hydrochloride has a molecular weight of 452.38 g/mol, XLogP of 5.44, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-5-(3-piperidin-1-ylpropyl)-1,3-oxazolidin-2-one;hydrochloride is sourced from PubChem (CID 19602636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).