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

C22H23N3O4 — CID 8836015

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

2,4-dimethoxy-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-prop-2-enylbenzamide (PubChem CID 8836015) has the molecular formula C22H23N3O4 and a molecular weight of 393.44 g/mol. Its IUPAC name is 2,4-dimethoxy-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-prop-2-enylbenzamide.

Molecular Properties

• Compound Name: 2,4-dimethoxy-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-prop-2-enylbenzamide
• PubChem CID: 8836015
• Molecular Formula: C22H23N3O4
• Molecular Weight: 393.44 g/mol
• Exact Mass: 393.17
• IUPAC Name: 2,4-dimethoxy-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-prop-2-enylbenzamide
• SMILES: C=CCN(Cc1nc(-c2ccc(C)cc2)no1)C(=O)c1ccc(OC)cc1OC
• InChI: InChI=1S/C22H23N3O4/c1-5-12-25(22(26)18-11-10-17(27-3)13-19(18)28-4)14-20-23-21(24-29-20)16-8-6-15(2)7-9-16/h5-11,13H,1,12,14H2,2-4H3
• InChIKey: GPGGDHWPDMBAOW-UHFFFAOYSA-N
• XLogP: 3.89
• TPSA: 77.69 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	393.44
LogP ≤ 5	3.89
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-prop-2-enylbenzamide?

The IUPAC name of 2,4-dimethoxy-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-prop-2-enylbenzamide (CID 8836015) is 2,4-dimethoxy-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-prop-2-enylbenzamide.

What is the SMILES notation for 2,4-dimethoxy-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-prop-2-enylbenzamide?

The canonical SMILES for 2,4-dimethoxy-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-prop-2-enylbenzamide is C=CCN(Cc1nc(-c2ccc(C)cc2)no1)C(=O)c1ccc(OC)cc1OC.

What is the InChIKey of 2,4-dimethoxy-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-prop-2-enylbenzamide?

The InChIKey is GPGGDHWPDMBAOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4/c1-5-12-25(22(26)18-11-10-17(27-3)13-19(18)28-4)14-20-23-21(24-29-20)16-8-6-15(2)7-9-16/h5-11,13H,1,12,14H2,2-4H3.

What are the key properties of 2,4-dimethoxy-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-prop-2-enylbenzamide?

2,4-dimethoxy-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-prop-2-enylbenzamide has a molecular weight of 393.44 g/mol, XLogP of 3.89, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-dimethoxy-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-prop-2-enylbenzamide is sourced from PubChem (CID 8836015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).