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

C21H18ClN3O3S — CID 18936650

IUPAC(5Z)-5-[(4-chlorophenyl)methylidene]-3-(4-imidazo[1,2-a]pyridin-5-ylsulfanylbutyl)-1,3-oxazolidine-2,4-dione
SMILESO=C1O/C(=C\c2ccc(Cl)cc2)C(=O)N1CCCCSc1cccc2nccn12
InChIInChI=1S/C21H18ClN3O3S/c22-16-8-6-15(7-9-16)14-17-20(26)25(21(27)28-17)11-1-2-13-29-19-5-3-4-18-23-10-12-24(18)19/h3-10,12,14H,1-2,11,13H2/b17-14-
InChIKeyUEAYAEGTHVXTLK-VKAVYKQESA-N
MW427.91 g/mol
LogP4.88
Rot. Bonds7

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

(5Z)-5-[(4-chlorophenyl)methylidene]-3-(4-imidazo[1,2-a]pyridin-5-ylsulfanylbutyl)-1,3-oxazolidine-2,4-dione (PubChem CID 18936650) has the molecular formula C21H18ClN3O3S and a molecular weight of 427.91 g/mol. Its IUPAC name is (5Z)-5-[(4-chlorophenyl)methylidene]-3-(4-imidazo[1,2-a]pyridin-5-ylsulfanylbutyl)-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[(4-chlorophenyl)methylidene]-3-(4-imidazo[1,2-a]pyridin-5-ylsulfanylbutyl)-1,3-oxazolidine-2,4-dione
PubChem CID18936650
Molecular FormulaC21H18ClN3O3S
Molecular Weight427.91 g/mol
Exact Mass427.08
IUPAC Name(5Z)-5-[(4-chlorophenyl)methylidene]-3-(4-imidazo[1,2-a]pyridin-5-ylsulfanylbutyl)-1,3-oxazolidine-2,4-dione
SMILESO=C1O/C(=C\c2ccc(Cl)cc2)C(=O)N1CCCCSc1cccc2nccn12
InChIInChI=1S/C21H18ClN3O3S/c22-16-8-6-15(7-9-16)14-17-20(26)25(21(27)28-17)11-1-2-13-29-19-5-3-4-18-23-10-12-24(18)19/h3-10,12,14H,1-2,11,13H2/b17-14-
InChIKeyUEAYAEGTHVXTLK-VKAVYKQESA-N
XLogP4.88
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.91
LogP ≤ 54.88
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'}

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Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(4-chlorophenyl)methylidene]-3-(4-imidazo[1,2-a]pyridin-5-ylsulfanylbutyl)-1,3-oxazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[(4-chlorophenyl)methylidene]-3-(4-imidazo[1,2-a]pyridin-5-ylsulfanylbutyl)-1,3-oxazolidine-2,4-dione (CID 18936650) is (5Z)-5-[(4-chlorophenyl)methylidene]-3-(4-imidazo[1,2-a]pyridin-5-ylsulfanylbutyl)-1,3-oxazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[(4-chlorophenyl)methylidene]-3-(4-imidazo[1,2-a]pyridin-5-ylsulfanylbutyl)-1,3-oxazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[(4-chlorophenyl)methylidene]-3-(4-imidazo[1,2-a]pyridin-5-ylsulfanylbutyl)-1,3-oxazolidine-2,4-dione is O=C1O/C(=C\c2ccc(Cl)cc2)C(=O)N1CCCCSc1cccc2nccn12.
What is the InChIKey of (5Z)-5-[(4-chlorophenyl)methylidene]-3-(4-imidazo[1,2-a]pyridin-5-ylsulfanylbutyl)-1,3-oxazolidine-2,4-dione?
The InChIKey is UEAYAEGTHVXTLK-VKAVYKQESA-N. The full InChI is InChI=1S/C21H18ClN3O3S/c22-16-8-6-15(7-9-16)14-17-20(26)25(21(27)28-17)11-1-2-13-29-19-5-3-4-18-23-10-12-24(18)19/h3-10,12,14H,1-2,11,13H2/b17-14-.
What are the key properties of (5Z)-5-[(4-chlorophenyl)methylidene]-3-(4-imidazo[1,2-a]pyridin-5-ylsulfanylbutyl)-1,3-oxazolidine-2,4-dione?
(5Z)-5-[(4-chlorophenyl)methylidene]-3-(4-imidazo[1,2-a]pyridin-5-ylsulfanylbutyl)-1,3-oxazolidine-2,4-dione has a molecular weight of 427.91 g/mol, XLogP of 4.88, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(4-chlorophenyl)methylidene]-3-(4-imidazo[1,2-a]pyridin-5-ylsulfanylbutyl)-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 18936650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).