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

C19H11Br2N3O4 — CID 142440239

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

3,5-dibromo-N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-hydroxybenzamide (PubChem CID 142440239) has the molecular formula C19H11Br2N3O4 and a molecular weight of 505.12 g/mol. Its IUPAC name is 3,5-dibromo-N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-hydroxybenzamide.

Molecular Properties

• Compound Name: 3,5-dibromo-N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-hydroxybenzamide
• PubChem CID: 142440239
• Molecular Formula: C19H11Br2N3O4
• Molecular Weight: 505.12 g/mol
• Exact Mass: 502.91
• IUPAC Name: 3,5-dibromo-N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-hydroxybenzamide
• SMILES: O=C(Nc1cccc(-c2nnc(-c3ccco3)o2)c1)c1cc(Br)cc(Br)c1O
• InChI: InChI=1S/C19H11Br2N3O4/c20-11-8-13(16(25)14(21)9-11)17(26)22-12-4-1-3-10(7-12)18-23-24-19(28-18)15-5-2-6-27-15/h1-9,25H,(H,22,26)
• InChIKey: KAEUUGLLFVGICB-UHFFFAOYSA-N
• XLogP: 5.48
• TPSA: 101.39 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	505.12
LogP ≤ 5	5.48
H-Bond Donors ≤ 5	2
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-hydroxybenzamide?

The IUPAC name of 3,5-dibromo-N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-hydroxybenzamide (CID 142440239) is 3,5-dibromo-N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-hydroxybenzamide.

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

The canonical SMILES for 3,5-dibromo-N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-hydroxybenzamide is O=C(Nc1cccc(-c2nnc(-c3ccco3)o2)c1)c1cc(Br)cc(Br)c1O.

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

The InChIKey is KAEUUGLLFVGICB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11Br2N3O4/c20-11-8-13(16(25)14(21)9-11)17(26)22-12-4-1-3-10(7-12)18-23-24-19(28-18)15-5-2-6-27-15/h1-9,25H,(H,22,26).

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

3,5-dibromo-N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-hydroxybenzamide has a molecular weight of 505.12 g/mol, XLogP of 5.48, 4 rotatable bonds, 2 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-hydroxybenzamide is sourced from PubChem (CID 142440239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).