5-bromo-N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-propan-2-yloxybenzamide

C22H18BrN3O4 — CID 142440309

About 5-bromo-N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-propan-2-yloxybenzamide

5-bromo-N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-propan-2-yloxybenzamide (PubChem CID 142440309) has the molecular formula C22H18BrN3O4 and a molecular weight of 468.31 g/mol. Its IUPAC name is 5-bromo-N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-propan-2-yloxybenzamide.

Molecular Properties

• Compound Name: 5-bromo-N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-propan-2-yloxybenzamide
• PubChem CID: 142440309
• Molecular Formula: C22H18BrN3O4
• Molecular Weight: 468.31 g/mol
• Exact Mass: 467.05
• IUPAC Name: 5-bromo-N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-propan-2-yloxybenzamide
• SMILES: CC(C)Oc1ccc(Br)cc1C(=O)Nc1cccc(-c2nnc(-c3ccco3)o2)c1
• InChI: InChI=1S/C22H18BrN3O4/c1-13(2)29-18-9-8-15(23)12-17(18)20(27)24-16-6-3-5-14(11-16)21-25-26-22(30-21)19-7-4-10-28-19/h3-13H,1-2H3,(H,24,27)
• InChIKey: GZMABIPUACFBTM-UHFFFAOYSA-N
• XLogP: 5.80
• TPSA: 90.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	468.31
LogP ≤ 5	5.80
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 5-bromo-N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-propan-2-yloxybenzamide (CID 142440309) is 5-bromo-N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-propan-2-yloxybenzamide.

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

The canonical SMILES for 5-bromo-N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-propan-2-yloxybenzamide is CC(C)Oc1ccc(Br)cc1C(=O)Nc1cccc(-c2nnc(-c3ccco3)o2)c1.

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

The InChIKey is GZMABIPUACFBTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18BrN3O4/c1-13(2)29-18-9-8-15(23)12-17(18)20(27)24-16-6-3-5-14(11-16)21-25-26-22(30-21)19-7-4-10-28-19/h3-13H,1-2H3,(H,24,27).

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

5-bromo-N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-propan-2-yloxybenzamide has a molecular weight of 468.31 g/mol, XLogP of 5.80, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-propan-2-yloxybenzamide is sourced from PubChem (CID 142440309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).