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

C24H25N5O3 — CID 98065394

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

5-methyl-N-[[4-[5-(5-methylpyrazin-2-yl)-1,3,4-oxadiazol-2-yl]cyclohexyl]methyl]-1-benzofuran-2-carboxamide (PubChem CID 98065394) has the molecular formula C24H25N5O3 and a molecular weight of 431.50 g/mol. Its IUPAC name is 5-methyl-N-[[4-[5-(5-methylpyrazin-2-yl)-1,3,4-oxadiazol-2-yl]cyclohexyl]methyl]-1-benzofuran-2-carboxamide.

Molecular Properties

• Compound Name: 5-methyl-N-[[4-[5-(5-methylpyrazin-2-yl)-1,3,4-oxadiazol-2-yl]cyclohexyl]methyl]-1-benzofuran-2-carboxamide
• PubChem CID: 98065394
• Molecular Formula: C24H25N5O3
• Molecular Weight: 431.50 g/mol
• Exact Mass: 431.20
• IUPAC Name: 5-methyl-N-[[4-[5-(5-methylpyrazin-2-yl)-1,3,4-oxadiazol-2-yl]cyclohexyl]methyl]-1-benzofuran-2-carboxamide
• SMILES: Cc1ccc2oc(C(=O)NCC3CCC(c4nnc(-c5cnc(C)cn5)o4)CC3)cc2c1
• InChI: InChI=1S/C24H25N5O3/c1-14-3-8-20-18(9-14)10-21(31-20)22(30)27-12-16-4-6-17(7-5-16)23-28-29-24(32-23)19-13-25-15(2)11-26-19/h3,8-11,13,16-17H,4-7,12H2,1-2H3,(H,27,30)
• InChIKey: PZKVSYZCUPBQJI-UHFFFAOYSA-N
• XLogP: 4.59
• TPSA: 106.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	431.50
LogP ≤ 5	4.59
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 5-methyl-N-[[4-[5-(5-methylpyrazin-2-yl)-1,3,4-oxadiazol-2-yl]cyclohexyl]methyl]-1-benzofuran-2-carboxamide (CID 98065394) is 5-methyl-N-[[4-[5-(5-methylpyrazin-2-yl)-1,3,4-oxadiazol-2-yl]cyclohexyl]methyl]-1-benzofuran-2-carboxamide.

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

The canonical SMILES for 5-methyl-N-[[4-[5-(5-methylpyrazin-2-yl)-1,3,4-oxadiazol-2-yl]cyclohexyl]methyl]-1-benzofuran-2-carboxamide is Cc1ccc2oc(C(=O)NCC3CCC(c4nnc(-c5cnc(C)cn5)o4)CC3)cc2c1.

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

The InChIKey is PZKVSYZCUPBQJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O3/c1-14-3-8-20-18(9-14)10-21(31-20)22(30)27-12-16-4-6-17(7-5-16)23-28-29-24(32-23)19-13-25-15(2)11-26-19/h3,8-11,13,16-17H,4-7,12H2,1-2H3,(H,27,30).

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

5-methyl-N-[[4-[5-(5-methylpyrazin-2-yl)-1,3,4-oxadiazol-2-yl]cyclohexyl]methyl]-1-benzofuran-2-carboxamide has a molecular weight of 431.50 g/mol, XLogP of 4.59, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-methyl-N-[[4-[5-(5-methylpyrazin-2-yl)-1,3,4-oxadiazol-2-yl]cyclohexyl]methyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 98065394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).