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

C20H16N4O5 — CID 16917872

IUPAC2-(1,3-dioxoisoindol-2-yl)-N-[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide
SMILESCOc1ccc(Cc2nnc(NC(=O)CN3C(=O)c4ccccc4C3=O)o2)cc1
InChIInChI=1S/C20H16N4O5/c1-28-13-8-6-12(7-9-13)10-17-22-23-20(29-17)21-16(25)11-24-18(26)14-4-2-3-5-15(14)19(24)27/h2-9H,10-11H2,1H3,(H,21,23,25)
InChIKeyVODPBFXJNOSYLZ-UHFFFAOYSA-N
MW392.37 g/mol
LogP1.90
Rot. Bonds6

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

2-(1,3-dioxoisoindol-2-yl)-N-[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide (PubChem CID 16917872) has the molecular formula C20H16N4O5 and a molecular weight of 392.37 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)-N-[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)-N-[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide
PubChem CID16917872
Molecular FormulaC20H16N4O5
Molecular Weight392.37 g/mol
Exact Mass392.11
IUPAC Name2-(1,3-dioxoisoindol-2-yl)-N-[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide
SMILESCOc1ccc(Cc2nnc(NC(=O)CN3C(=O)c4ccccc4C3=O)o2)cc1
InChIInChI=1S/C20H16N4O5/c1-28-13-8-6-12(7-9-13)10-17-22-23-20(29-17)21-16(25)11-24-18(26)14-4-2-3-5-15(14)19(24)27/h2-9H,10-11H2,1H3,(H,21,23,25)
InChIKeyVODPBFXJNOSYLZ-UHFFFAOYSA-N
XLogP1.90
TPSA114.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.37
LogP ≤ 51.90
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
2-(1,3-dioxoisoindol-2-yl)-N-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]acetamide
CID 110320126
2-(4-methoxyphenyl)sulfonyl-N-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide
CID 43973309
2-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 699193
N-[5-[(4-ethylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-2-(4-methoxyphenyl)acetamide
CID 43975494
2-(1,3-dioxoisoindol-2-yl)-N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 16821605
2-(3-methoxyphenoxy)-N-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide
CID 43973150
N-(5-benzyl-1,3,4-oxadiazol-2-yl)-2-(4-ethoxyphenyl)acetamide
CID 16917468
3-(4-methoxyphenyl)sulfanyl-N-[5-[(4-methylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]propanamide
CID 43974124
N-[5-[(4-ethylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-3-(4-methoxyphenyl)sulfanylpropanamide
CID 43975482
N-[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-2-carboxamide
CID 16917858
2-(1,3-dioxoisoindol-2-yl)-N-[5-(2-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 7577904

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide (CID 16917872) is 2-(1,3-dioxoisoindol-2-yl)-N-[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)-N-[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)-N-[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide is COc1ccc(Cc2nnc(NC(=O)CN3C(=O)c4ccccc4C3=O)o2)cc1.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)-N-[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide?
The InChIKey is VODPBFXJNOSYLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O5/c1-28-13-8-6-12(7-9-13)10-17-22-23-20(29-17)21-16(25)11-24-18(26)14-4-2-3-5-15(14)19(24)27/h2-9H,10-11H2,1H3,(H,21,23,25).
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)-N-[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide?
2-(1,3-dioxoisoindol-2-yl)-N-[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide has a molecular weight of 392.37 g/mol, XLogP of 1.90, 6 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-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide is sourced from PubChem (CID 16917872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).