2-(1,3-dioxoisoindol-2-yl)-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-prop-2-enylacetamide

C23H20N4O4 — CID 8894489

IUPAC2-(1,3-dioxoisoindol-2-yl)-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-prop-2-enylacetamide
SMILESC=CCN(Cc1nc(-c2cccc(C)c2)no1)C(=O)CN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C23H20N4O4/c1-3-11-26(13-19-24-21(25-31-19)16-8-6-7-15(2)12-16)20(28)14-27-22(29)17-9-4-5-10-18(17)23(27)30/h3-10,12H,1,11,13-14H2,2H3
InChIKeyRIUSIMWEHKADCH-UHFFFAOYSA-N
MW416.44 g/mol
LogP2.86
Rot. Bonds7

About 2-(1,3-dioxoisoindol-2-yl)-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-prop-2-enylacetamide

2-(1,3-dioxoisoindol-2-yl)-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-prop-2-enylacetamide (PubChem CID 8894489) has the molecular formula C23H20N4O4 and a molecular weight of 416.44 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-prop-2-enylacetamide
PubChem CID8894489
Molecular FormulaC23H20N4O4
Molecular Weight416.44 g/mol
Exact Mass416.15
IUPAC Name2-(1,3-dioxoisoindol-2-yl)-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-prop-2-enylacetamide
SMILESC=CCN(Cc1nc(-c2cccc(C)c2)no1)C(=O)CN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C23H20N4O4/c1-3-11-26(13-19-24-21(25-31-19)16-8-6-7-15(2)12-16)20(28)14-27-22(29)17-9-4-5-10-18(17)23(27)30/h3-10,12H,1,11,13-14H2,2H3
InChIKeyRIUSIMWEHKADCH-UHFFFAOYSA-N
XLogP2.86
TPSA96.61 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.44
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]isoindole-1,3-dione
CID 17380564
2,4-dimethyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-prop-2-enylbenzamide
CID 8875301
3-methyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-prop-2-enylbenzamide
CID 8835655
N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(2-methoxyphenyl)-N-prop-2-enylacetamide
CID 8874568
2,4-dimethyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-prop-2-enylbenzamide
CID 8875297
(2S)-2-(3-methylphenoxy)-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-prop-2-enylpropanamide
CID 8894838
N-ethyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-naphthalen-1-ylacetamide
CID 7694093
2-(1,3-dioxoisoindol-2-yl)-N-ethyl-N-prop-2-enylacetamide
CID 84558909
3-methyl-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1-prop-2-enylurea
CID 8895595
2-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-prop-2-enylfuran-3-carboxamide
CID 6462831
N-ethyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-phenylprop-2-enamide
CID 71951743
2-fluoro-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-prop-2-enylbenzamide
CID 8835731

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-prop-2-enylacetamide?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-prop-2-enylacetamide (CID 8894489) is 2-(1,3-dioxoisoindol-2-yl)-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-prop-2-enylacetamide.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-prop-2-enylacetamide?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-prop-2-enylacetamide is C=CCN(Cc1nc(-c2cccc(C)c2)no1)C(=O)CN1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-prop-2-enylacetamide?
The InChIKey is RIUSIMWEHKADCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O4/c1-3-11-26(13-19-24-21(25-31-19)16-8-6-7-15(2)12-16)20(28)14-27-22(29)17-9-4-5-10-18(17)23(27)30/h3-10,12H,1,11,13-14H2,2H3.
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-prop-2-enylacetamide?
2-(1,3-dioxoisoindol-2-yl)-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-prop-2-enylacetamide has a molecular weight of 416.44 g/mol, XLogP of 2.86, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxoisoindol-2-yl)-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-prop-2-enylacetamide is sourced from PubChem (CID 8894489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).