3-(4-imidazo[1,2-a]pyridin-5-ylsulfanylbutyl)-5-(3-phenylpropylidene)-1,3-oxazolidine-2,4-dione

C23H23N3O3S — CID 57260764

IUPAC3-(4-imidazo[1,2-a]pyridin-5-ylsulfanylbutyl)-5-(3-phenylpropylidene)-1,3-oxazolidine-2,4-dione
SMILESO=C1OC(=CCCc2ccccc2)C(=O)N1CCCCSc1cccc2nccn12
InChIInChI=1S/C23H23N3O3S/c27-22-19(11-6-10-18-8-2-1-3-9-18)29-23(28)26(22)15-4-5-17-30-21-13-7-12-20-24-14-16-25(20)21/h1-3,7-9,11-14,16H,4-6,10,15,17H2
InChIKeyUMCNPRWZRDCTFQ-UHFFFAOYSA-N
MW421.52 g/mol
LogP4.70
Rot. Bonds9

About 3-(4-imidazo[1,2-a]pyridin-5-ylsulfanylbutyl)-5-(3-phenylpropylidene)-1,3-oxazolidine-2,4-dione

3-(4-imidazo[1,2-a]pyridin-5-ylsulfanylbutyl)-5-(3-phenylpropylidene)-1,3-oxazolidine-2,4-dione (PubChem CID 57260764) has the molecular formula C23H23N3O3S and a molecular weight of 421.52 g/mol. Its IUPAC name is 3-(4-imidazo[1,2-a]pyridin-5-ylsulfanylbutyl)-5-(3-phenylpropylidene)-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Name3-(4-imidazo[1,2-a]pyridin-5-ylsulfanylbutyl)-5-(3-phenylpropylidene)-1,3-oxazolidine-2,4-dione
PubChem CID57260764
Molecular FormulaC23H23N3O3S
Molecular Weight421.52 g/mol
Exact Mass421.15
IUPAC Name3-(4-imidazo[1,2-a]pyridin-5-ylsulfanylbutyl)-5-(3-phenylpropylidene)-1,3-oxazolidine-2,4-dione
SMILESO=C1OC(=CCCc2ccccc2)C(=O)N1CCCCSc1cccc2nccn12
InChIInChI=1S/C23H23N3O3S/c27-22-19(11-6-10-18-8-2-1-3-9-18)29-23(28)26(22)15-4-5-17-30-21-13-7-12-20-24-14-16-25(20)21/h1-3,7-9,11-14,16H,4-6,10,15,17H2
InChIKeyUMCNPRWZRDCTFQ-UHFFFAOYSA-N
XLogP4.70
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.52
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 3-(4-imidazo[1,2-a]pyridin-5-ylsulfanylbutyl)-5-(3-phenylpropylidene)-1,3-oxazolidine-2,4-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-(4-imidazo[1,2-a]pyridin-5-ylsulfanylbutyl)-5-(3-phenylpropylidene)-1,3-oxazolidine-2,4-dione?
The IUPAC name of 3-(4-imidazo[1,2-a]pyridin-5-ylsulfanylbutyl)-5-(3-phenylpropylidene)-1,3-oxazolidine-2,4-dione (CID 57260764) is 3-(4-imidazo[1,2-a]pyridin-5-ylsulfanylbutyl)-5-(3-phenylpropylidene)-1,3-oxazolidine-2,4-dione.
What is the SMILES notation for 3-(4-imidazo[1,2-a]pyridin-5-ylsulfanylbutyl)-5-(3-phenylpropylidene)-1,3-oxazolidine-2,4-dione?
The canonical SMILES for 3-(4-imidazo[1,2-a]pyridin-5-ylsulfanylbutyl)-5-(3-phenylpropylidene)-1,3-oxazolidine-2,4-dione is O=C1OC(=CCCc2ccccc2)C(=O)N1CCCCSc1cccc2nccn12.
What is the InChIKey of 3-(4-imidazo[1,2-a]pyridin-5-ylsulfanylbutyl)-5-(3-phenylpropylidene)-1,3-oxazolidine-2,4-dione?
The InChIKey is UMCNPRWZRDCTFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3S/c27-22-19(11-6-10-18-8-2-1-3-9-18)29-23(28)26(22)15-4-5-17-30-21-13-7-12-20-24-14-16-25(20)21/h1-3,7-9,11-14,16H,4-6,10,15,17H2.
What are the key properties of 3-(4-imidazo[1,2-a]pyridin-5-ylsulfanylbutyl)-5-(3-phenylpropylidene)-1,3-oxazolidine-2,4-dione?
3-(4-imidazo[1,2-a]pyridin-5-ylsulfanylbutyl)-5-(3-phenylpropylidene)-1,3-oxazolidine-2,4-dione has a molecular weight of 421.52 g/mol, XLogP of 4.70, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-imidazo[1,2-a]pyridin-5-ylsulfanylbutyl)-5-(3-phenylpropylidene)-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 57260764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).