N-[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide

C19H17N3O6 — CID 3451233

About N-[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide

N-[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide (PubChem CID 3451233) has the molecular formula C19H17N3O6 and a molecular weight of 383.36 g/mol. Its IUPAC name is N-[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide.

Molecular Properties

• Compound Name: N-[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
• PubChem CID: 3451233
• Molecular Formula: C19H17N3O6
• Molecular Weight: 383.36 g/mol
• Exact Mass: 383.11
• IUPAC Name: N-[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
• SMILES: COc1cc(OC)cc(-c2nnc(NC(=O)c3ccc4c(c3)OCCO4)o2)c1
• InChI: InChI=1S/C19H17N3O6/c1-24-13-7-12(8-14(10-13)25-2)18-21-22-19(28-18)20-17(23)11-3-4-15-16(9-11)27-6-5-26-15/h3-4,7-10H,5-6H2,1-2H3,(H,20,22,23)
• InChIKey: HSUBKVBSABLWJN-UHFFFAOYSA-N
• XLogP: 2.78
• TPSA: 104.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	383.36
LogP ≤ 5	2.78
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide?

The IUPAC name of N-[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide (CID 3451233) is N-[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide.

What is the SMILES notation for N-[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide?

The canonical SMILES for N-[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide is COc1cc(OC)cc(-c2nnc(NC(=O)c3ccc4c(c3)OCCO4)o2)c1.

What is the InChIKey of N-[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide?

The InChIKey is HSUBKVBSABLWJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O6/c1-24-13-7-12(8-14(10-13)25-2)18-21-22-19(28-18)20-17(23)11-3-4-15-16(9-11)27-6-5-26-15/h3-4,7-10H,5-6H2,1-2H3,(H,20,22,23).

What are the key properties of N-[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide?

N-[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide has a molecular weight of 383.36 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide is sourced from PubChem (CID 3451233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).