3,5-dibromo-N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-methoxybenzamide

C20H13Br2N3O4 — CID 135347274

About 3,5-dibromo-N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-methoxybenzamide

3,5-dibromo-N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-methoxybenzamide (PubChem CID 135347274) has the molecular formula C20H13Br2N3O4 and a molecular weight of 519.15 g/mol. Its IUPAC name is 3,5-dibromo-N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-methoxybenzamide.

Molecular Properties

• Compound Name: 3,5-dibromo-N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-methoxybenzamide
• PubChem CID: 135347274
• Molecular Formula: C20H13Br2N3O4
• Molecular Weight: 519.15 g/mol
• Exact Mass: 516.93
• IUPAC Name: 3,5-dibromo-N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-methoxybenzamide
• SMILES: COc1c(Br)cc(Br)cc1C(=O)Nc1cccc(-c2nnc(-c3ccco3)o2)c1
• InChI: InChI=1S/C20H13Br2N3O4/c1-27-17-14(9-12(21)10-15(17)22)18(26)23-13-5-2-4-11(8-13)19-24-25-20(29-19)16-6-3-7-28-16/h2-10H,1H3,(H,23,26)
• InChIKey: DKWJVRXXNRNLSN-UHFFFAOYSA-N
• XLogP: 5.78
• TPSA: 90.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	519.15
LogP ≤ 5	5.78
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-methoxybenzamide?

The IUPAC name of 3,5-dibromo-N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-methoxybenzamide (CID 135347274) is 3,5-dibromo-N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-methoxybenzamide.

What is the SMILES notation for 3,5-dibromo-N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-methoxybenzamide?

The canonical SMILES for 3,5-dibromo-N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-methoxybenzamide is COc1c(Br)cc(Br)cc1C(=O)Nc1cccc(-c2nnc(-c3ccco3)o2)c1.

What is the InChIKey of 3,5-dibromo-N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-methoxybenzamide?

The InChIKey is DKWJVRXXNRNLSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13Br2N3O4/c1-27-17-14(9-12(21)10-15(17)22)18(26)23-13-5-2-4-11(8-13)19-24-25-20(29-19)16-6-3-7-28-16/h2-10H,1H3,(H,23,26).

What are the key properties of 3,5-dibromo-N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-methoxybenzamide?

3,5-dibromo-N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-methoxybenzamide has a molecular weight of 519.15 g/mol, XLogP of 5.78, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3,5-dibromo-N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-methoxybenzamide is sourced from PubChem (CID 135347274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).