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

C20H13Cl2N3O4 — CID 146494644

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

5-chloro-N-[3-chloro-5-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-methoxybenzamide (PubChem CID 146494644) has the molecular formula C20H13Cl2N3O4 and a molecular weight of 430.25 g/mol. Its IUPAC name is 5-chloro-N-[3-chloro-5-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-methoxybenzamide.

Molecular Properties

• Compound Name: 5-chloro-N-[3-chloro-5-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-methoxybenzamide
• PubChem CID: 146494644
• Molecular Formula: C20H13Cl2N3O4
• Molecular Weight: 430.25 g/mol
• Exact Mass: 429.03
• IUPAC Name: 5-chloro-N-[3-chloro-5-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-methoxybenzamide
• SMILES: COc1ccc(Cl)cc1C(=O)Nc1cc(Cl)cc(-c2nnc(-c3ccco3)o2)c1
• InChI: InChI=1S/C20H13Cl2N3O4/c1-27-16-5-4-12(21)10-15(16)18(26)23-14-8-11(7-13(22)9-14)19-24-25-20(29-19)17-3-2-6-28-17/h2-10H,1H3,(H,23,26)
• InChIKey: NGIPEMSYEOWKOU-UHFFFAOYSA-N
• XLogP: 5.56
• TPSA: 90.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	430.25
LogP ≤ 5	5.56
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 5-chloro-N-[3-chloro-5-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-methoxybenzamide (CID 146494644) is 5-chloro-N-[3-chloro-5-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-methoxybenzamide.

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

The canonical SMILES for 5-chloro-N-[3-chloro-5-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-methoxybenzamide is COc1ccc(Cl)cc1C(=O)Nc1cc(Cl)cc(-c2nnc(-c3ccco3)o2)c1.

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

The InChIKey is NGIPEMSYEOWKOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13Cl2N3O4/c1-27-16-5-4-12(21)10-15(16)18(26)23-14-8-11(7-13(22)9-14)19-24-25-20(29-19)17-3-2-6-28-17/h2-10H,1H3,(H,23,26).

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

5-chloro-N-[3-chloro-5-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-methoxybenzamide has a molecular weight of 430.25 g/mol, XLogP of 5.56, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-N-[3-chloro-5-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-methoxybenzamide is sourced from PubChem (CID 146494644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).