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

C21H18N4O7 — CID 16821605

IUPAC2-(1,3-dioxoisoindol-2-yl)-N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]acetamide
SMILESCOc1cc(-c2nnc(NC(=O)CN3C(=O)c4ccccc4C3=O)o2)cc(OC)c1OC
InChIInChI=1S/C21H18N4O7/c1-29-14-8-11(9-15(30-2)17(14)31-3)18-23-24-21(32-18)22-16(26)10-25-19(27)12-6-4-5-7-13(12)20(25)28/h4-9H,10H2,1-3H3,(H,22,24,26)
InChIKeyPJVKXDLPKJGRNW-UHFFFAOYSA-N
MW438.40 g/mol
LogP2.00
Rot. Bonds7

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

2-(1,3-dioxoisoindol-2-yl)-N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]acetamide (PubChem CID 16821605) has the molecular formula C21H18N4O7 and a molecular weight of 438.40 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)-N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)-N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]acetamide
PubChem CID16821605
Molecular FormulaC21H18N4O7
Molecular Weight438.40 g/mol
Exact Mass438.12
IUPAC Name2-(1,3-dioxoisoindol-2-yl)-N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]acetamide
SMILESCOc1cc(-c2nnc(NC(=O)CN3C(=O)c4ccccc4C3=O)o2)cc(OC)c1OC
InChIInChI=1S/C21H18N4O7/c1-29-14-8-11(9-15(30-2)17(14)31-3)18-23-24-21(32-18)22-16(26)10-25-19(27)12-6-4-5-7-13(12)20(25)28/h4-9H,10H2,1-3H3,(H,22,24,26)
InChIKeyPJVKXDLPKJGRNW-UHFFFAOYSA-N
XLogP2.00
TPSA133.09 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.40
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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
N-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide
CID 7655711
2-[2-[[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethyl]isoindole-1,3-dione
CID 4783431
2-(1,3-dioxoisoindol-2-yl)-N-[5-(2-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 7577904
2-thiophen-2-yl-N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 30515129
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-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide
CID 16917872
N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 16821623
3,4-dimethoxy-N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 7533120
2-(4-ethylsulfanylphenyl)-N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 18586837
2-(1,3-dioxoisoindol-2-yl)-N-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]acetamide
CID 110320126

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]acetamide?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]acetamide (CID 16821605) is 2-(1,3-dioxoisoindol-2-yl)-N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]acetamide.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)-N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]acetamide?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)-N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]acetamide is COc1cc(-c2nnc(NC(=O)CN3C(=O)c4ccccc4C3=O)o2)cc(OC)c1OC.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)-N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]acetamide?
The InChIKey is PJVKXDLPKJGRNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O7/c1-29-14-8-11(9-15(30-2)17(14)31-3)18-23-24-21(32-18)22-16(26)10-25-19(27)12-6-4-5-7-13(12)20(25)28/h4-9H,10H2,1-3H3,(H,22,24,26).
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)-N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]acetamide?
2-(1,3-dioxoisoindol-2-yl)-N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]acetamide has a molecular weight of 438.40 g/mol, XLogP of 2.00, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxoisoindol-2-yl)-N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]acetamide is sourced from PubChem (CID 16821605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).