2-(1,3-dioxoisoindol-2-yl)-N-[5-(2-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]acetamide

C19H14N4O4S — CID 7577904

IUPAC2-(1,3-dioxoisoindol-2-yl)-N-[5-(2-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]acetamide
SMILESCSc1ccccc1-c1nnc(NC(=O)CN2C(=O)c3ccccc3C2=O)o1
InChIInChI=1S/C19H14N4O4S/c1-28-14-9-5-4-8-13(14)16-21-22-19(27-16)20-15(24)10-23-17(25)11-6-2-3-7-12(11)18(23)26/h2-9H,10H2,1H3,(H,20,22,24)
InChIKeyXBQNLMZYMCYOJQ-UHFFFAOYSA-N
MW394.41 g/mol
LogP2.69
Rot. Bonds5

About 2-(1,3-dioxoisoindol-2-yl)-N-[5-(2-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]acetamide

2-(1,3-dioxoisoindol-2-yl)-N-[5-(2-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]acetamide (PubChem CID 7577904) has the molecular formula C19H14N4O4S and a molecular weight of 394.41 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)-N-[5-(2-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)-N-[5-(2-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]acetamide
PubChem CID7577904
Molecular FormulaC19H14N4O4S
Molecular Weight394.41 g/mol
Exact Mass394.07
IUPAC Name2-(1,3-dioxoisoindol-2-yl)-N-[5-(2-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]acetamide
SMILESCSc1ccccc1-c1nnc(NC(=O)CN2C(=O)c3ccccc3C2=O)o1
InChIInChI=1S/C19H14N4O4S/c1-28-14-9-5-4-8-13(14)16-21-22-19(27-16)20-15(24)10-23-17(25)11-6-2-3-7-12(11)18(23)26/h2-9H,10H2,1H3,(H,20,22,24)
InChIKeyXBQNLMZYMCYOJQ-UHFFFAOYSA-N
XLogP2.69
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.41
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-(1,3-dioxoisoindol-2-yl)-N-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 4189128
N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 4172136
2-(1,3-dioxoisoindol-2-yl)-N-[5-(1,2-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]acetamide
CID 16861308
2-(1,3-dioxoisoindol-2-yl)-N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 16821605
2-fluoro-N-[5-(2-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 7577911
methyl 4-[[5-(2-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]carbamoyl]benzoate
CID 7577907
N-[5-(2-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]-3-phenylprop-2-enamide
CID 71962543
5-chloro-N-[5-(2-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide
CID 7294998
2-(1,3-dioxoisoindol-2-yl)-N-[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide
CID 16917872
[2-(2-methylsulfanylanilino)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)acetate
CID 23967060
4-[ethyl(phenyl)sulfamoyl]-N-[5-(2-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 18576949
N-[5-(2-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]-3-nitrobenzamide
CID 7294988

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-[5-(2-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]acetamide?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-[5-(2-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]acetamide (CID 7577904) is 2-(1,3-dioxoisoindol-2-yl)-N-[5-(2-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]acetamide.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)-N-[5-(2-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]acetamide?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)-N-[5-(2-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]acetamide is CSc1ccccc1-c1nnc(NC(=O)CN2C(=O)c3ccccc3C2=O)o1.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)-N-[5-(2-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]acetamide?
The InChIKey is XBQNLMZYMCYOJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4O4S/c1-28-14-9-5-4-8-13(14)16-21-22-19(27-16)20-15(24)10-23-17(25)11-6-2-3-7-12(11)18(23)26/h2-9H,10H2,1H3,(H,20,22,24).
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)-N-[5-(2-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]acetamide?
2-(1,3-dioxoisoindol-2-yl)-N-[5-(2-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]acetamide has a molecular weight of 394.41 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxoisoindol-2-yl)-N-[5-(2-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]acetamide is sourced from PubChem (CID 7577904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).