N-[2,6-dichloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-[(2,5-dimethoxyphenyl)methyl]furan-2-carboxamide

C23H19Cl2N3O5 — CID 21047196

About N-[2,6-dichloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-[(2,5-dimethoxyphenyl)methyl]furan-2-carboxamide

N-[2,6-dichloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-[(2,5-dimethoxyphenyl)methyl]furan-2-carboxamide (PubChem CID 21047196) has the molecular formula C23H19Cl2N3O5 and a molecular weight of 488.33 g/mol. Its IUPAC name is N-[2,6-dichloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-[(2,5-dimethoxyphenyl)methyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[2,6-dichloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-[(2,5-dimethoxyphenyl)methyl]furan-2-carboxamide
• PubChem CID: 21047196
• Molecular Formula: C23H19Cl2N3O5
• Molecular Weight: 488.33 g/mol
• Exact Mass: 487.07
• IUPAC Name: N-[2,6-dichloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-[(2,5-dimethoxyphenyl)methyl]furan-2-carboxamide
• SMILES: COc1ccc(OC)c(Cc2ccc(C(=O)Nc3c(Cl)cc(-c4noc(C)n4)cc3Cl)o2)c1
• InChI: InChI=1S/C23H19Cl2N3O5/c1-12-26-22(28-33-12)14-10-17(24)21(18(25)11-14)27-23(29)20-7-5-16(32-20)9-13-8-15(30-2)4-6-19(13)31-3/h4-8,10-11H,9H2,1-3H3,(H,27,29)
• InChIKey: DGXSMIMXANLNQD-UHFFFAOYSA-N
• XLogP: 5.81
• TPSA: 99.62 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	488.33
LogP ≤ 5	5.81
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[2,6-dichloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-[(2,5-dimethoxyphenyl)methyl]furan-2-carboxamide?

The IUPAC name of N-[2,6-dichloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-[(2,5-dimethoxyphenyl)methyl]furan-2-carboxamide (CID 21047196) is N-[2,6-dichloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-[(2,5-dimethoxyphenyl)methyl]furan-2-carboxamide.

What is the SMILES notation for N-[2,6-dichloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-[(2,5-dimethoxyphenyl)methyl]furan-2-carboxamide?

The canonical SMILES for N-[2,6-dichloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-[(2,5-dimethoxyphenyl)methyl]furan-2-carboxamide is COc1ccc(OC)c(Cc2ccc(C(=O)Nc3c(Cl)cc(-c4noc(C)n4)cc3Cl)o2)c1.

What is the InChIKey of N-[2,6-dichloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-[(2,5-dimethoxyphenyl)methyl]furan-2-carboxamide?

The InChIKey is DGXSMIMXANLNQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19Cl2N3O5/c1-12-26-22(28-33-12)14-10-17(24)21(18(25)11-14)27-23(29)20-7-5-16(32-20)9-13-8-15(30-2)4-6-19(13)31-3/h4-8,10-11H,9H2,1-3H3,(H,27,29).

What are the key properties of N-[2,6-dichloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-[(2,5-dimethoxyphenyl)methyl]furan-2-carboxamide?

N-[2,6-dichloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-[(2,5-dimethoxyphenyl)methyl]furan-2-carboxamide has a molecular weight of 488.33 g/mol, XLogP of 5.81, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2,6-dichloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-[(2,5-dimethoxyphenyl)methyl]furan-2-carboxamide is sourced from PubChem (CID 21047196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).