dimethyl 5-[[2-[(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]benzene-1,3-dicarboxylate

C24H19N3O6S — CID 3913763

IUPACdimethyl 5-[[2-[(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]benzene-1,3-dicarboxylate
SMILESCOC(=O)c1cc(NC(=O)CSc2nnc(-c3ccc4ccccc4c3)o2)cc(C(=O)OC)c1
InChIInChI=1S/C24H19N3O6S/c1-31-22(29)17-10-18(23(30)32-2)12-19(11-17)25-20(28)13-34-24-27-26-21(33-24)16-8-7-14-5-3-4-6-15(14)9-16/h3-12H,13H2,1-2H3,(H,25,28)
InChIKeyVIWAUIWVEJRNQH-UHFFFAOYSA-N
MW477.50 g/mol
LogP4.19
Rot. Bonds7

About dimethyl 5-[[2-[(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]benzene-1,3-dicarboxylate

dimethyl 5-[[2-[(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]benzene-1,3-dicarboxylate (PubChem CID 3913763) has the molecular formula C24H19N3O6S and a molecular weight of 477.50 g/mol. Its IUPAC name is dimethyl 5-[[2-[(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]benzene-1,3-dicarboxylate.

Molecular Properties

Compound Namedimethyl 5-[[2-[(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]benzene-1,3-dicarboxylate
PubChem CID3913763
Molecular FormulaC24H19N3O6S
Molecular Weight477.50 g/mol
Exact Mass477.10
IUPAC Namedimethyl 5-[[2-[(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]benzene-1,3-dicarboxylate
SMILESCOC(=O)c1cc(NC(=O)CSc2nnc(-c3ccc4ccccc4c3)o2)cc(C(=O)OC)c1
InChIInChI=1S/C24H19N3O6S/c1-31-22(29)17-10-18(23(30)32-2)12-19(11-17)25-20(28)13-34-24-27-26-21(33-24)16-8-7-14-5-3-4-6-15(14)9-16/h3-12H,13H2,1-2H3,(H,25,28)
InChIKeyVIWAUIWVEJRNQH-UHFFFAOYSA-N
XLogP4.19
TPSA120.62 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.50
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze dimethyl 5-[[2-[(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]benzene-1,3-dicarboxylate with MolForge

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Launch Full Analysis

Related Compounds

dimethyl 5-[[2-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]benzene-1,3-dicarboxylate
CID 4990658
dimethyl 5-[[2-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]benzene-1,3-dicarboxylate
CID 4263503
2-[(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide
CID 4008503
2-[[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-naphthalen-2-ylacetamide
CID 3386877
N-naphthalen-2-yl-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 4273230
N-(2-ethoxyphenyl)-2-[(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 3956986
2-[(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 4019395
N-(4-iodo-2-methylphenyl)-2-[(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 4665928
dimethyl 5-[[2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]acetyl]amino]benzene-1,3-dicarboxylate
CID 3953748
N-(4-methoxyphenyl)-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 1112961
N-naphthalen-2-yl-2-[[5-(3-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 9343641
2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3,5-dimethoxyphenyl)acetamide
CID 4313387

Frequently Asked Questions

What is the IUPAC name of dimethyl 5-[[2-[(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]benzene-1,3-dicarboxylate?
The IUPAC name of dimethyl 5-[[2-[(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]benzene-1,3-dicarboxylate (CID 3913763) is dimethyl 5-[[2-[(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]benzene-1,3-dicarboxylate.
What is the SMILES notation for dimethyl 5-[[2-[(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]benzene-1,3-dicarboxylate?
The canonical SMILES for dimethyl 5-[[2-[(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]benzene-1,3-dicarboxylate is COC(=O)c1cc(NC(=O)CSc2nnc(-c3ccc4ccccc4c3)o2)cc(C(=O)OC)c1.
What is the InChIKey of dimethyl 5-[[2-[(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]benzene-1,3-dicarboxylate?
The InChIKey is VIWAUIWVEJRNQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O6S/c1-31-22(29)17-10-18(23(30)32-2)12-19(11-17)25-20(28)13-34-24-27-26-21(33-24)16-8-7-14-5-3-4-6-15(14)9-16/h3-12H,13H2,1-2H3,(H,25,28).
What are the key properties of dimethyl 5-[[2-[(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]benzene-1,3-dicarboxylate?
dimethyl 5-[[2-[(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]benzene-1,3-dicarboxylate has a molecular weight of 477.50 g/mol, XLogP of 4.19, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 5-[[2-[(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]benzene-1,3-dicarboxylate is sourced from PubChem (CID 3913763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).