N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide

C20H19N3O4 — CID 110334407

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide (PubChem CID 110334407) has the molecular formula C20H19N3O4 and a molecular weight of 365.39 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide.

Molecular Properties

• Compound Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
• PubChem CID: 110334407
• Molecular Formula: C20H19N3O4
• Molecular Weight: 365.39 g/mol
• Exact Mass: 365.14
• IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
• SMILES: Cc1cccc(-c2nnc(CCC(=O)Nc3ccc4c(c3)OCCO4)o2)c1
• InChI: InChI=1S/C20H19N3O4/c1-13-3-2-4-14(11-13)20-23-22-19(27-20)8-7-18(24)21-15-5-6-16-17(12-15)26-10-9-25-16/h2-6,11-12H,7-10H2,1H3,(H,21,24)
• InChIKey: KBARSCUUXPSRSJ-UHFFFAOYSA-N
• XLogP: 3.39
• TPSA: 86.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	365.39
LogP ≤ 5	3.39
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide?

The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide (CID 110334407) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide.

What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide?

The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide is Cc1cccc(-c2nnc(CCC(=O)Nc3ccc4c(c3)OCCO4)o2)c1.

What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide?

The InChIKey is KBARSCUUXPSRSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4/c1-13-3-2-4-14(11-13)20-23-22-19(27-20)8-7-18(24)21-15-5-6-16-17(12-15)26-10-9-25-16/h2-6,11-12H,7-10H2,1H3,(H,21,24).

What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide?

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide has a molecular weight of 365.39 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide is sourced from PubChem (CID 110334407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).