5-chloro-N-[4-(3,4-dimethylphenyl)-1,2,5-oxadiazol-3-yl]-3-methyl-1-benzofuran-2-carboxamide

C20H16ClN3O3 — CID 17013417

About 5-chloro-N-[4-(3,4-dimethylphenyl)-1,2,5-oxadiazol-3-yl]-3-methyl-1-benzofuran-2-carboxamide

5-chloro-N-[4-(3,4-dimethylphenyl)-1,2,5-oxadiazol-3-yl]-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 17013417) has the molecular formula C20H16ClN3O3 and a molecular weight of 381.82 g/mol. Its IUPAC name is 5-chloro-N-[4-(3,4-dimethylphenyl)-1,2,5-oxadiazol-3-yl]-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

• Compound Name: 5-chloro-N-[4-(3,4-dimethylphenyl)-1,2,5-oxadiazol-3-yl]-3-methyl-1-benzofuran-2-carboxamide
• PubChem CID: 17013417
• Molecular Formula: C20H16ClN3O3
• Molecular Weight: 381.82 g/mol
• Exact Mass: 381.09
• IUPAC Name: 5-chloro-N-[4-(3,4-dimethylphenyl)-1,2,5-oxadiazol-3-yl]-3-methyl-1-benzofuran-2-carboxamide
• SMILES: Cc1ccc(-c2nonc2NC(=O)c2oc3ccc(Cl)cc3c2C)cc1C
• InChI: InChI=1S/C20H16ClN3O3/c1-10-4-5-13(8-11(10)2)17-19(24-27-23-17)22-20(25)18-12(3)15-9-14(21)6-7-16(15)26-18/h4-9H,1-3H3,(H,22,24,25)
• InChIKey: ZFHGUFKJTKMXPI-UHFFFAOYSA-N
• XLogP: 5.31
• TPSA: 81.16 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	381.82
LogP ≤ 5	5.31
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[4-(3,4-dimethylphenyl)-1,2,5-oxadiazol-3-yl]-3-methyl-1-benzofuran-2-carboxamide?

The IUPAC name of 5-chloro-N-[4-(3,4-dimethylphenyl)-1,2,5-oxadiazol-3-yl]-3-methyl-1-benzofuran-2-carboxamide (CID 17013417) is 5-chloro-N-[4-(3,4-dimethylphenyl)-1,2,5-oxadiazol-3-yl]-3-methyl-1-benzofuran-2-carboxamide.

What is the SMILES notation for 5-chloro-N-[4-(3,4-dimethylphenyl)-1,2,5-oxadiazol-3-yl]-3-methyl-1-benzofuran-2-carboxamide?

The canonical SMILES for 5-chloro-N-[4-(3,4-dimethylphenyl)-1,2,5-oxadiazol-3-yl]-3-methyl-1-benzofuran-2-carboxamide is Cc1ccc(-c2nonc2NC(=O)c2oc3ccc(Cl)cc3c2C)cc1C.

What is the InChIKey of 5-chloro-N-[4-(3,4-dimethylphenyl)-1,2,5-oxadiazol-3-yl]-3-methyl-1-benzofuran-2-carboxamide?

The InChIKey is ZFHGUFKJTKMXPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN3O3/c1-10-4-5-13(8-11(10)2)17-19(24-27-23-17)22-20(25)18-12(3)15-9-14(21)6-7-16(15)26-18/h4-9H,1-3H3,(H,22,24,25).

What are the key properties of 5-chloro-N-[4-(3,4-dimethylphenyl)-1,2,5-oxadiazol-3-yl]-3-methyl-1-benzofuran-2-carboxamide?

5-chloro-N-[4-(3,4-dimethylphenyl)-1,2,5-oxadiazol-3-yl]-3-methyl-1-benzofuran-2-carboxamide has a molecular weight of 381.82 g/mol, XLogP of 5.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-N-[4-(3,4-dimethylphenyl)-1,2,5-oxadiazol-3-yl]-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 17013417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).