[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl 2-quinoxalin-2-ylsulfanylacetate

C20H16N4O4S — CID 24530851

IUPAC[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl 2-quinoxalin-2-ylsulfanylacetate
SMILESCOc1ccc(-c2nnc(COC(=O)CSc3cnc4ccccc4n3)o2)cc1
InChIInChI=1S/C20H16N4O4S/c1-26-14-8-6-13(7-9-14)20-24-23-17(28-20)11-27-19(25)12-29-18-10-21-15-4-2-3-5-16(15)22-18/h2-10H,11-12H2,1H3
InChIKeyUQSLIADRMYEYDE-UHFFFAOYSA-N
MW408.44 g/mol
LogP3.52
Rot. Bonds7

About [5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl 2-quinoxalin-2-ylsulfanylacetate

[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl 2-quinoxalin-2-ylsulfanylacetate (PubChem CID 24530851) has the molecular formula C20H16N4O4S and a molecular weight of 408.44 g/mol. Its IUPAC name is [5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl 2-quinoxalin-2-ylsulfanylacetate.

Molecular Properties

Compound Name[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl 2-quinoxalin-2-ylsulfanylacetate
PubChem CID24530851
Molecular FormulaC20H16N4O4S
Molecular Weight408.44 g/mol
Exact Mass408.09
IUPAC Name[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl 2-quinoxalin-2-ylsulfanylacetate
SMILESCOc1ccc(-c2nnc(COC(=O)CSc3cnc4ccccc4n3)o2)cc1
InChIInChI=1S/C20H16N4O4S/c1-26-14-8-6-13(7-9-14)20-24-23-17(28-20)11-27-19(25)12-29-18-10-21-15-4-2-3-5-16(15)22-18/h2-10H,11-12H2,1H3
InChIKeyUQSLIADRMYEYDE-UHFFFAOYSA-N
XLogP3.52
TPSA100.23 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.44
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze [5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl 2-quinoxalin-2-ylsulfanylacetate with MolForge

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Related Compounds

(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 4-(4-methoxyphenoxy)butanoate
CID 84601948
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl quinoxaline-2-carboxylate
CID 8610510
4-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]benzamide
CID 26051370
[4-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]-phenylmethanone
CID 27912068
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(4-methoxyphenyl)quinoline-4-carboxylate
CID 2647320
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(4-methoxyphenoxy)propanoate
CID 46519545
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate
CID 7735658
2-(methoxymethyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 67274190
[2-(methylcarbamoylamino)-2-oxoethyl] 2-quinoxalin-2-ylsulfanylacetate
CID 32508024
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(2,5-dimethylphenyl)sulfanylacetate
CID 7788533
propyl 2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate
CID 2281095
[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 4-methoxybenzoate
CID 7861717

Frequently Asked Questions

What is the IUPAC name of [5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl 2-quinoxalin-2-ylsulfanylacetate?
The IUPAC name of [5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl 2-quinoxalin-2-ylsulfanylacetate (CID 24530851) is [5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl 2-quinoxalin-2-ylsulfanylacetate.
What is the SMILES notation for [5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl 2-quinoxalin-2-ylsulfanylacetate?
The canonical SMILES for [5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl 2-quinoxalin-2-ylsulfanylacetate is COc1ccc(-c2nnc(COC(=O)CSc3cnc4ccccc4n3)o2)cc1.
What is the InChIKey of [5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl 2-quinoxalin-2-ylsulfanylacetate?
The InChIKey is UQSLIADRMYEYDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O4S/c1-26-14-8-6-13(7-9-14)20-24-23-17(28-20)11-27-19(25)12-29-18-10-21-15-4-2-3-5-16(15)22-18/h2-10H,11-12H2,1H3.
What are the key properties of [5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl 2-quinoxalin-2-ylsulfanylacetate?
[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl 2-quinoxalin-2-ylsulfanylacetate has a molecular weight of 408.44 g/mol, XLogP of 3.52, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl 2-quinoxalin-2-ylsulfanylacetate is sourced from PubChem (CID 24530851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).