3-[[3-[(2-oxo-3-pyridin-2-yl-1,3-oxazolidin-5-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,5-dione

C19H17N3O5S — CID 67804081

IUPAC3-[[3-[(2-oxo-3-pyridin-2-yl-1,3-oxazolidin-5-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,5-dione
SMILESO=C1CN(Cc2cccc(OCC3CN(c4ccccn4)C(=O)O3)c2)C(=O)S1
InChIInChI=1S/C19H17N3O5S/c23-17-11-21(19(25)28-17)9-13-4-3-5-14(8-13)26-12-15-10-22(18(24)27-15)16-6-1-2-7-20-16/h1-8,15H,9-12H2
InChIKeyCXEHODWMNMUIRE-UHFFFAOYSA-N
MW399.43 g/mol
LogP2.68
Rot. Bonds6

About 3-[[3-[(2-oxo-3-pyridin-2-yl-1,3-oxazolidin-5-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,5-dione

3-[[3-[(2-oxo-3-pyridin-2-yl-1,3-oxazolidin-5-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,5-dione (PubChem CID 67804081) has the molecular formula C19H17N3O5S and a molecular weight of 399.43 g/mol. Its IUPAC name is 3-[[3-[(2-oxo-3-pyridin-2-yl-1,3-oxazolidin-5-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,5-dione.

Molecular Properties

Compound Name3-[[3-[(2-oxo-3-pyridin-2-yl-1,3-oxazolidin-5-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,5-dione
PubChem CID67804081
Molecular FormulaC19H17N3O5S
Molecular Weight399.43 g/mol
Exact Mass399.09
IUPAC Name3-[[3-[(2-oxo-3-pyridin-2-yl-1,3-oxazolidin-5-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,5-dione
SMILESO=C1CN(Cc2cccc(OCC3CN(c4ccccn4)C(=O)O3)c2)C(=O)S1
InChIInChI=1S/C19H17N3O5S/c23-17-11-21(19(25)28-17)9-13-4-3-5-14(8-13)26-12-15-10-22(18(24)27-15)16-6-1-2-7-20-16/h1-8,15H,9-12H2
InChIKeyCXEHODWMNMUIRE-UHFFFAOYSA-N
XLogP2.68
TPSA89.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.43
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}

Analyze 3-[[3-[(2-oxo-3-pyridin-2-yl-1,3-oxazolidin-5-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,5-dione 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-[[3-[(2-oxo-3-pyridin-2-yl-1,3-oxazolidin-5-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,5-dione?
The IUPAC name of 3-[[3-[(2-oxo-3-pyridin-2-yl-1,3-oxazolidin-5-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,5-dione (CID 67804081) is 3-[[3-[(2-oxo-3-pyridin-2-yl-1,3-oxazolidin-5-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,5-dione.
What is the SMILES notation for 3-[[3-[(2-oxo-3-pyridin-2-yl-1,3-oxazolidin-5-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,5-dione?
The canonical SMILES for 3-[[3-[(2-oxo-3-pyridin-2-yl-1,3-oxazolidin-5-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,5-dione is O=C1CN(Cc2cccc(OCC3CN(c4ccccn4)C(=O)O3)c2)C(=O)S1.
What is the InChIKey of 3-[[3-[(2-oxo-3-pyridin-2-yl-1,3-oxazolidin-5-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,5-dione?
The InChIKey is CXEHODWMNMUIRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O5S/c23-17-11-21(19(25)28-17)9-13-4-3-5-14(8-13)26-12-15-10-22(18(24)27-15)16-6-1-2-7-20-16/h1-8,15H,9-12H2.
What are the key properties of 3-[[3-[(2-oxo-3-pyridin-2-yl-1,3-oxazolidin-5-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,5-dione?
3-[[3-[(2-oxo-3-pyridin-2-yl-1,3-oxazolidin-5-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,5-dione has a molecular weight of 399.43 g/mol, XLogP of 2.68, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-[(2-oxo-3-pyridin-2-yl-1,3-oxazolidin-5-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,5-dione is sourced from PubChem (CID 67804081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).