5-(benzimidazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide;5-(1,1-dioxo-3H-1,2-benzothiazol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide;5-[5-(2-methoxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide;5-[3-(3-methoxyphenyl)-2-oxoimidazolidin-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide;5-[3-(2-morpholin-4-ylethyl)-2-oxobenzimidazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide;5-(3-oxo-5-pyrrolidin-1-ylsulfonyl-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide

C132H141N47O24S2 — CID 159906504

About 5-(benzimidazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide;5-(1,1-dioxo-3H-1,2-benzothiazol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide;5-[5-(2-methoxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide;5-[3-(3-methoxyphenyl)-2-oxoimidazolidin-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide;5-[3-(2-morpholin-4-ylethyl)-2-oxobenzimidazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide;5-(3-oxo-5-pyrrolidin-1-ylsulfonyl-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide

5-(benzimidazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide;5-(1,1-dioxo-3H-1,2-benzothiazol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide;5-[5-(2-methoxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide;5-[3-(3-methoxyphenyl)-2-oxoimidazolidin-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide;5-[3-(2-morpholin-4-ylethyl)-2-oxobenzimidazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide;5-(3-oxo-5-pyrrolidin-1-ylsulfonyl-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide (PubChem CID 159906504) has the molecular formula C132H141N47O24S2 and a molecular weight of 2834.02 g/mol. Its IUPAC name is 5-(benzimidazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide;5-(1,1-dioxo-3H-1,2-benzothiazol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide;5-[5-(2-methoxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide;5-[3-(3-methoxyphenyl)-2-oxoimidazolidin-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide;5-[3-(2-morpholin-4-ylethyl)-2-oxobenzimidazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide;5-(3-oxo-5-pyrrolidin-1-ylsulfonyl-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

• Compound Name: 5-(benzimidazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide;5-(1,1-dioxo-3H-1,2-benzothiazol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide;5-[5-(2-methoxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide;5-[3-(3-methoxyphenyl)-2-oxoimidazolidin-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide;5-[3-(2-morpholin-4-ylethyl)-2-oxobenzimidazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide;5-(3-oxo-5-pyrrolidin-1-ylsulfonyl-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide
• PubChem CID: 159906504
• Molecular Formula: C132H141N47O24S2
• Molecular Weight: 2834.02 g/mol
• Exact Mass: 2832.07
• IUPAC Name: 5-(benzimidazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide;5-(1,1-dioxo-3H-1,2-benzothiazol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide;5-[5-(2-methoxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide;5-[3-(3-methoxyphenyl)-2-oxoimidazolidin-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide;5-[3-(2-morpholin-4-ylethyl)-2-oxobenzimidazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide;5-(3-oxo-5-pyrrolidin-1-ylsulfonyl-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide
• SMILES: COCCOc1ccc2c(c1)C(=O)N(c1nnc(C(=O)Nc3cnccc3N3CCNCC3)o1)C2.COc1cccc(N2CCN(c3nnc(C(=O)Nc4cnccc4N4CCNCC4)o3)C2=O)c1.O=C(Nc1cnccc1N1CCNCC1)c1nnc(-n2c(=O)n(CCN3CCOCC3)c3ccccc32)o1.O=C(Nc1cnccc1N1CCNCC1)c1nnc(-n2cnc3ccccc32)o1.O=C(Nc1cnccc1N1CCNCC1)c1nnc(N2Cc3ccc(S(=O)(=O)N4CCCC4)cc3C2=O)o1.O=C(Nc1cnccc1N1CCNCC1)c1nnc(N2Cc3ccccc3S2(=O)=O)o1
• InChI: InChI=1S/C25H29N9O4.C24H26N8O5S.C23H25N7O5.C22H24N8O4.C19H18N8O2.C19H19N7O4S/c35-22(28-18-17-27-6-5-19(18)32-9-7-26-8-10-32)23-29-30-24(38-23)34-21-4-2-1-3-20(21)33(25(34)36)12-11-31-13-15-37-16-14-31;33-21(27-19-14-26-6-5-20(19)30-11-7-25-8-12-30)22-28-29-24(37-22)32-15-16-3-4-17(13-18(16)23(32)34)38(35,36)31-9-1-2-10-31;1-33-10-11-34-16-3-2-15-14-30(22(32)17(15)12-16)23-28-27-21(35-23)20(31)26-18-13-25-5-4-19(18)29-8-6-24-7-9-29;1-33-16-4-2-3-15(13-16)29-11-12-30(22(29)32)21-27-26-20(34-21)19(31)25-17-14-24-6-5-18(17)28-9-7-23-8-10-28;28-17(23-14-11-21-6-5-15(14)26-9-7-20-8-10-26)18-24-25-19(29-18)27-12-22-13-3-1-2-4-16(13)27;27-17(22-14-11-21-6-5-15(14)25-9-7-20-8-10-25)18-23-24-19(30-18)26-12-13-3-1-2-4-16(13)31(26,28)29/h1-6,17,26H,7-16H2,(H,28,35);3-6,13-14,25H,1-2,7-12,15H2,(H,27,33);2-5,12-13,24H,6-11,14H2,1H3,(H,26,31);2-6,13-14,23H,7-12H2,1H3,(H,25,31);1-6,11-12,20H,7-10H2,(H,23,28);1-6,11,20H,7-10,12H2,(H,22,27)
• InChIKey: NWQJINKRFUERBS-UHFFFAOYSA-N
• XLogP: 6.83
• TPSA: 800.92 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 59
• Rotatable Bonds: 35
• Heavy Atoms: 205
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2834.02
LogP ≤ 5	6.83
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	59

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-(benzimidazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide;5-(1,1-dioxo-3H-1,2-benzothiazol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide;5-[5-(2-methoxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide;5-[3-(3-methoxyphenyl)-2-oxoimidazolidin-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide;5-[3-(2-morpholin-4-ylethyl)-2-oxobenzimidazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide;5-(3-oxo-5-pyrrolidin-1-ylsulfonyl-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide?

The IUPAC name of 5-(benzimidazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide;5-(1,1-dioxo-3H-1,2-benzothiazol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide;5-[5-(2-methoxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide;5-[3-(3-methoxyphenyl)-2-oxoimidazolidin-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide;5-[3-(2-morpholin-4-ylethyl)-2-oxobenzimidazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide;5-(3-oxo-5-pyrrolidin-1-ylsulfonyl-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide (CID 159906504) is 5-(benzimidazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide;5-(1,1-dioxo-3H-1,2-benzothiazol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide;5-[5-(2-methoxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide;5-[3-(3-methoxyphenyl)-2-oxoimidazolidin-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide;5-[3-(2-morpholin-4-ylethyl)-2-oxobenzimidazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide;5-(3-oxo-5-pyrrolidin-1-ylsulfonyl-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide.

What is the SMILES notation for 5-(benzimidazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide;5-(1,1-dioxo-3H-1,2-benzothiazol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide;5-[5-(2-methoxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide;5-[3-(3-methoxyphenyl)-2-oxoimidazolidin-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide;5-[3-(2-morpholin-4-ylethyl)-2-oxobenzimidazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide;5-(3-oxo-5-pyrrolidin-1-ylsulfonyl-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide?

The canonical SMILES for 5-(benzimidazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide;5-(1,1-dioxo-3H-1,2-benzothiazol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide;5-[5-(2-methoxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide;5-[3-(3-methoxyphenyl)-2-oxoimidazolidin-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide;5-[3-(2-morpholin-4-ylethyl)-2-oxobenzimidazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide;5-(3-oxo-5-pyrrolidin-1-ylsulfonyl-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide is COCCOc1ccc2c(c1)C(=O)N(c1nnc(C(=O)Nc3cnccc3N3CCNCC3)o1)C2.COc1cccc(N2CCN(c3nnc(C(=O)Nc4cnccc4N4CCNCC4)o3)C2=O)c1.O=C(Nc1cnccc1N1CCNCC1)c1nnc(-n2c(=O)n(CCN3CCOCC3)c3ccccc32)o1.O=C(Nc1cnccc1N1CCNCC1)c1nnc(-n2cnc3ccccc32)o1.O=C(Nc1cnccc1N1CCNCC1)c1nnc(N2Cc3ccc(S(=O)(=O)N4CCCC4)cc3C2=O)o1.O=C(Nc1cnccc1N1CCNCC1)c1nnc(N2Cc3ccccc3S2(=O)=O)o1.

What is the InChIKey of 5-(benzimidazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide;5-(1,1-dioxo-3H-1,2-benzothiazol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide;5-[5-(2-methoxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide;5-[3-(3-methoxyphenyl)-2-oxoimidazolidin-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide;5-[3-(2-morpholin-4-ylethyl)-2-oxobenzimidazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide;5-(3-oxo-5-pyrrolidin-1-ylsulfonyl-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide?

The InChIKey is NWQJINKRFUERBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N9O4.C24H26N8O5S.C23H25N7O5.C22H24N8O4.C19H18N8O2.C19H19N7O4S/c35-22(28-18-17-27-6-5-19(18)32-9-7-26-8-10-32)23-29-30-24(38-23)34-21-4-2-1-3-20(21)33(25(34)36)12-11-31-13-15-37-16-14-31;33-21(27-19-14-26-6-5-20(19)30-11-7-25-8-12-30)22-28-29-24(37-22)32-15-16-3-4-17(13-18(16)23(32)34)38(35,36)31-9-1-2-10-31;1-33-10-11-34-16-3-2-15-14-30(22(32)17(15)12-16)23-28-27-21(35-23)20(31)26-18-13-25-5-4-19(18)29-8-6-24-7-9-29;1-33-16-4-2-3-15(13-16)29-11-12-30(22(29)32)21-27-26-20(34-21)19(31)25-17-14-24-6-5-18(17)28-9-7-23-8-10-28;28-17(23-14-11-21-6-5-15(14)26-9-7-20-8-10-26)18-24-25-19(29-18)27-12-22-13-3-1-2-4-16(13)27;27-17(22-14-11-21-6-5-15(14)25-9-7-20-8-10-25)18-23-24-19(30-18)26-12-13-3-1-2-4-16(13)31(26,28)29/h1-6,17,26H,7-16H2,(H,28,35);3-6,13-14,25H,1-2,7-12,15H2,(H,27,33);2-5,12-13,24H,6-11,14H2,1H3,(H,26,31);2-6,13-14,23H,7-12H2,1H3,(H,25,31);1-6,11-12,20H,7-10H2,(H,23,28);1-6,11,20H,7-10,12H2,(H,22,27).

What are the key properties of 5-(benzimidazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide;5-(1,1-dioxo-3H-1,2-benzothiazol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide;5-[5-(2-methoxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide;5-[3-(3-methoxyphenyl)-2-oxoimidazolidin-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide;5-[3-(2-morpholin-4-ylethyl)-2-oxobenzimidazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide;5-(3-oxo-5-pyrrolidin-1-ylsulfonyl-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide?

5-(benzimidazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide;5-(1,1-dioxo-3H-1,2-benzothiazol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide;5-[5-(2-methoxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide;5-[3-(3-methoxyphenyl)-2-oxoimidazolidin-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide;5-[3-(2-morpholin-4-ylethyl)-2-oxobenzimidazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide;5-(3-oxo-5-pyrrolidin-1-ylsulfonyl-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 2834.02 g/mol, XLogP of 6.83, 35 rotatable bonds, 12 hydrogen bond donors, and 59 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(benzimidazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide;5-(1,1-dioxo-3H-1,2-benzothiazol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide;5-[5-(2-methoxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide;5-[3-(3-methoxyphenyl)-2-oxoimidazolidin-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide;5-[3-(2-morpholin-4-ylethyl)-2-oxobenzimidazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide;5-(3-oxo-5-pyrrolidin-1-ylsulfonyl-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 159906504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).