(5Z)-5-[[4-[2-(2-oxo-1,3-benzoxazol-3-yl)ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione

C19H14N2O5S — CID 163891673

IUPAC(5Z)-5-[[4-[2-(2-oxo-1,3-benzoxazol-3-yl)ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C/c2ccc(OCCn3c(=O)oc4ccccc43)cc2)S1
InChIInChI=1S/C19H14N2O5S/c22-17-16(27-18(23)20-17)11-12-5-7-13(8-6-12)25-10-9-21-14-3-1-2-4-15(14)26-19(21)24/h1-8,11H,9-10H2,(H,20,22,23)/b16-11-
InChIKeyQCBCXLXNAQTVGZ-WJDWOHSUSA-N
MW382.40 g/mol
LogP3.00
Rot. Bonds5

About (5Z)-5-[[4-[2-(2-oxo-1,3-benzoxazol-3-yl)ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione

(5Z)-5-[[4-[2-(2-oxo-1,3-benzoxazol-3-yl)ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 163891673) has the molecular formula C19H14N2O5S and a molecular weight of 382.40 g/mol. Its IUPAC name is (5Z)-5-[[4-[2-(2-oxo-1,3-benzoxazol-3-yl)ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[[4-[2-(2-oxo-1,3-benzoxazol-3-yl)ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID163891673
Molecular FormulaC19H14N2O5S
Molecular Weight382.40 g/mol
Exact Mass382.06
IUPAC Name(5Z)-5-[[4-[2-(2-oxo-1,3-benzoxazol-3-yl)ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C/c2ccc(OCCn3c(=O)oc4ccccc43)cc2)S1
InChIInChI=1S/C19H14N2O5S/c22-17-16(27-18(23)20-17)11-12-5-7-13(8-6-12)25-10-9-21-14-3-1-2-4-15(14)26-19(21)24/h1-8,11H,9-10H2,(H,20,22,23)/b16-11-
InChIKeyQCBCXLXNAQTVGZ-WJDWOHSUSA-N
XLogP3.00
TPSA90.54 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.40
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

5-[[4-(2-phenoxazin-10-ylethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 54414745
5-[[4-[5-[4-[5-[4-[(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]pentoxy]phenoxy]pentoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 142633467
(5Z)-5-[[4-(3-phenylpropoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 46836336
(5Z)-5-[[4-[2-(3-oxo-1H-isoindol-2-yl)ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 18998899
diethyl 2-[[4-[2-(2-oxo-1,3-benzoxazol-3-yl)ethoxy]phenyl]methylidene]propanedioate
CID 10295973
(5Z)-5-[[4-[2-[2-(4-methylsulfanylphenyl)-4-oxochromen-3-yl]oxyethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 11237903
(5E)-5-[[4-[4-[1,3-benzoxazol-2-yl(methyl)amino]butoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 20617408
(5E)-5-[[4-[2-(2-ethyl-4-methyl-6-oxopyrimidin-1-yl)ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 18722821
(5Z)-5-[[4-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 10806862
5-[[4-[2-[1-methyl-2-(4-methylphenyl)-4-oxoquinolin-3-yl]oxyethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 73100648
2-(4-fluorophenoxy)ethyl 3-(2-oxo-1,3-benzoxazol-3-yl)propanoate
CID 8727481
5-[[4-[2-(pyridin-2-ylamino)ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 71433938

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[[4-[2-(2-oxo-1,3-benzoxazol-3-yl)ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[[4-[2-(2-oxo-1,3-benzoxazol-3-yl)ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione (CID 163891673) is (5Z)-5-[[4-[2-(2-oxo-1,3-benzoxazol-3-yl)ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[[4-[2-(2-oxo-1,3-benzoxazol-3-yl)ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[[4-[2-(2-oxo-1,3-benzoxazol-3-yl)ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione is O=C1NC(=O)/C(=C/c2ccc(OCCn3c(=O)oc4ccccc43)cc2)S1.
What is the InChIKey of (5Z)-5-[[4-[2-(2-oxo-1,3-benzoxazol-3-yl)ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is QCBCXLXNAQTVGZ-WJDWOHSUSA-N. The full InChI is InChI=1S/C19H14N2O5S/c22-17-16(27-18(23)20-17)11-12-5-7-13(8-6-12)25-10-9-21-14-3-1-2-4-15(14)26-19(21)24/h1-8,11H,9-10H2,(H,20,22,23)/b16-11-.
What are the key properties of (5Z)-5-[[4-[2-(2-oxo-1,3-benzoxazol-3-yl)ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione?
(5Z)-5-[[4-[2-(2-oxo-1,3-benzoxazol-3-yl)ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 382.40 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[[4-[2-(2-oxo-1,3-benzoxazol-3-yl)ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 163891673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).