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

C21H15N3O5 — CID 70941439

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

3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]benzamide (PubChem CID 70941439) has the molecular formula C21H15N3O5 and a molecular weight of 389.37 g/mol. Its IUPAC name is 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]benzamide.

Molecular Properties

• Compound Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]benzamide
• PubChem CID: 70941439
• Molecular Formula: C21H15N3O5
• Molecular Weight: 389.37 g/mol
• Exact Mass: 389.10
• IUPAC Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]benzamide
• SMILES: O=C(Nc1nnc(-c2ccco2)o1)c1cccc(-c2ccc3c(c2)OCCO3)c1
• InChI: InChI=1S/C21H15N3O5/c25-19(22-21-24-23-20(29-21)17-5-2-8-26-17)15-4-1-3-13(11-15)14-6-7-16-18(12-14)28-10-9-27-16/h1-8,11-12H,9-10H2,(H,22,24,25)
• InChIKey: SNXIQFCCMSWELL-UHFFFAOYSA-N
• XLogP: 4.02
• TPSA: 99.62 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	389.37
LogP ≤ 5	4.02
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]benzamide (CID 70941439) is 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]benzamide.

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

The canonical SMILES for 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]benzamide is O=C(Nc1nnc(-c2ccco2)o1)c1cccc(-c2ccc3c(c2)OCCO3)c1.

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

The InChIKey is SNXIQFCCMSWELL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N3O5/c25-19(22-21-24-23-20(29-21)17-5-2-8-26-17)15-4-1-3-13(11-15)14-6-7-16-18(12-14)28-10-9-27-16/h1-8,11-12H,9-10H2,(H,22,24,25).

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

3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]benzamide has a molecular weight of 389.37 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]benzamide is sourced from PubChem (CID 70941439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).