5-(1,1-dioxo-3H-1,2-benzothiazol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;5-[5-[2-(2-methoxyethoxy)ethoxy]-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;5-[5-(2-methoxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;5-[6-(2-methoxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;5-[3-oxo-5-(oxolan-2-ylmethoxy)-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;5-(3-oxo-5-pyrrolidin-1-ylsulfonyl-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide

C145H157N37O30S2 — CID 158283058

About 5-(1,1-dioxo-3H-1,2-benzothiazol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;5-[5-[2-(2-methoxyethoxy)ethoxy]-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;5-[5-(2-methoxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;5-[6-(2-methoxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;5-[3-oxo-5-(oxolan-2-ylmethoxy)-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;5-(3-oxo-5-pyrrolidin-1-ylsulfonyl-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide

5-(1,1-dioxo-3H-1,2-benzothiazol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;5-[5-[2-(2-methoxyethoxy)ethoxy]-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;5-[5-(2-methoxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;5-[6-(2-methoxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;5-[3-oxo-5-(oxolan-2-ylmethoxy)-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;5-(3-oxo-5-pyrrolidin-1-ylsulfonyl-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide (PubChem CID 158283058) has the molecular formula C145H157N37O30S2 and a molecular weight of 2962.21 g/mol. Its IUPAC name is 5-(1,1-dioxo-3H-1,2-benzothiazol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;5-[5-[2-(2-methoxyethoxy)ethoxy]-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;5-[5-(2-methoxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;5-[6-(2-methoxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;5-[3-oxo-5-(oxolan-2-ylmethoxy)-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;5-(3-oxo-5-pyrrolidin-1-ylsulfonyl-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide.

Molecular Properties

• Compound Name: 5-(1,1-dioxo-3H-1,2-benzothiazol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;5-[5-[2-(2-methoxyethoxy)ethoxy]-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;5-[5-(2-methoxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;5-[6-(2-methoxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;5-[3-oxo-5-(oxolan-2-ylmethoxy)-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;5-(3-oxo-5-pyrrolidin-1-ylsulfonyl-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide
• PubChem CID: 158283058
• Molecular Formula: C145H157N37O30S2
• Molecular Weight: 2962.21 g/mol
• Exact Mass: 2960.13
• IUPAC Name: 5-(1,1-dioxo-3H-1,2-benzothiazol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;5-[5-[2-(2-methoxyethoxy)ethoxy]-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;5-[5-(2-methoxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;5-[6-(2-methoxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;5-[3-oxo-5-(oxolan-2-ylmethoxy)-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;5-(3-oxo-5-pyrrolidin-1-ylsulfonyl-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide
• SMILES: COCCOCCOc1ccc2c(c1)C(=O)N(c1cnc(C(=O)Nc3cnccc3N3CCNCC3)o1)C2.COCCOc1ccc2c(c1)C(=O)N(c1cnc(C(=O)Nc3cnccc3N3CCNCC3)o1)C2.COCCOc1ccc2c(c1)CN(c1cnc(C(=O)Nc3cnccc3N3CCNCC3)o1)C2=O.O=C(Nc1cnccc1N1CCNCC1)c1ncc(N2Cc3ccc(OCC4CCCO4)cc3C2=O)o1.O=C(Nc1cnccc1N1CCNCC1)c1ncc(N2Cc3ccc(S(=O)(=O)N4CCCC4)cc3C2=O)o1.O=C(Nc1cnccc1N1CCNCC1)c1ncc(N2Cc3ccccc3S2(=O)=O)o1
• InChI: InChI=1S/C26H30N6O6.C26H28N6O5.C25H27N7O5S.2C24H26N6O5.C20H20N6O4S/c1-35-10-11-36-12-13-37-19-3-2-18-17-32(26(34)20(18)14-19)23-16-29-25(38-23)24(33)30-21-15-28-5-4-22(21)31-8-6-27-7-9-31;33-24(30-21-13-28-6-5-22(21)31-9-7-27-8-10-31)25-29-14-23(37-25)32-15-17-3-4-18(12-20(17)26(32)34)36-16-19-2-1-11-35-19;33-23(29-20-14-27-6-5-21(20)30-11-7-26-8-12-30)24-28-15-22(37-24)32-16-17-3-4-18(13-19(17)25(32)34)38(35,36)31-9-1-2-10-31;1-33-10-11-34-17-2-3-18-16(12-17)15-30(24(18)32)21-14-27-23(35-21)22(31)28-19-13-26-5-4-20(19)29-8-6-25-7-9-29;1-33-10-11-34-17-3-2-16-15-30(24(32)18(16)12-17)21-14-27-23(35-21)22(31)28-19-13-26-5-4-20(19)29-8-6-25-7-9-29;27-19(24-15-11-22-6-5-16(15)25-9-7-21-8-10-25)20-23-12-18(30-20)26-13-14-3-1-2-4-17(14)31(26,28)29/h2-5,14-16,27H,6-13,17H2,1H3,(H,30,33);3-6,12-14,19,27H,1-2,7-11,15-16H2,(H,30,33);3-6,13-15,26H,1-2,7-12,16H2,(H,29,33);2*2-5,12-14,25H,6-11,15H2,1H3,(H,28,31);1-6,11-12,21H,7-10,13H2,(H,24,27)
• InChIKey: GKLALACCBVVLDL-UHFFFAOYSA-N
• XLogP: 11.33
• TPSA: 759.12 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 54
• Rotatable Bonds: 44
• Heavy Atoms: 214
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2962.21
LogP ≤ 5	11.33
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	54

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-(1,1-dioxo-3H-1,2-benzothiazol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;5-[5-[2-(2-methoxyethoxy)ethoxy]-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;5-[5-(2-methoxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;5-[6-(2-methoxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;5-[3-oxo-5-(oxolan-2-ylmethoxy)-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;5-(3-oxo-5-pyrrolidin-1-ylsulfonyl-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide?

The IUPAC name of 5-(1,1-dioxo-3H-1,2-benzothiazol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;5-[5-[2-(2-methoxyethoxy)ethoxy]-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;5-[5-(2-methoxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;5-[6-(2-methoxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;5-[3-oxo-5-(oxolan-2-ylmethoxy)-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;5-(3-oxo-5-pyrrolidin-1-ylsulfonyl-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide (CID 158283058) is 5-(1,1-dioxo-3H-1,2-benzothiazol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;5-[5-[2-(2-methoxyethoxy)ethoxy]-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;5-[5-(2-methoxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;5-[6-(2-methoxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;5-[3-oxo-5-(oxolan-2-ylmethoxy)-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;5-(3-oxo-5-pyrrolidin-1-ylsulfonyl-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide.

What is the SMILES notation for 5-(1,1-dioxo-3H-1,2-benzothiazol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;5-[5-[2-(2-methoxyethoxy)ethoxy]-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;5-[5-(2-methoxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;5-[6-(2-methoxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;5-[3-oxo-5-(oxolan-2-ylmethoxy)-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;5-(3-oxo-5-pyrrolidin-1-ylsulfonyl-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide?

The canonical SMILES for 5-(1,1-dioxo-3H-1,2-benzothiazol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;5-[5-[2-(2-methoxyethoxy)ethoxy]-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;5-[5-(2-methoxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;5-[6-(2-methoxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;5-[3-oxo-5-(oxolan-2-ylmethoxy)-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;5-(3-oxo-5-pyrrolidin-1-ylsulfonyl-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide is COCCOCCOc1ccc2c(c1)C(=O)N(c1cnc(C(=O)Nc3cnccc3N3CCNCC3)o1)C2.COCCOc1ccc2c(c1)C(=O)N(c1cnc(C(=O)Nc3cnccc3N3CCNCC3)o1)C2.COCCOc1ccc2c(c1)CN(c1cnc(C(=O)Nc3cnccc3N3CCNCC3)o1)C2=O.O=C(Nc1cnccc1N1CCNCC1)c1ncc(N2Cc3ccc(OCC4CCCO4)cc3C2=O)o1.O=C(Nc1cnccc1N1CCNCC1)c1ncc(N2Cc3ccc(S(=O)(=O)N4CCCC4)cc3C2=O)o1.O=C(Nc1cnccc1N1CCNCC1)c1ncc(N2Cc3ccccc3S2(=O)=O)o1.

What is the InChIKey of 5-(1,1-dioxo-3H-1,2-benzothiazol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;5-[5-[2-(2-methoxyethoxy)ethoxy]-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;5-[5-(2-methoxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;5-[6-(2-methoxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;5-[3-oxo-5-(oxolan-2-ylmethoxy)-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;5-(3-oxo-5-pyrrolidin-1-ylsulfonyl-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide?

The InChIKey is GKLALACCBVVLDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N6O6.C26H28N6O5.C25H27N7O5S.2C24H26N6O5.C20H20N6O4S/c1-35-10-11-36-12-13-37-19-3-2-18-17-32(26(34)20(18)14-19)23-16-29-25(38-23)24(33)30-21-15-28-5-4-22(21)31-8-6-27-7-9-31;33-24(30-21-13-28-6-5-22(21)31-9-7-27-8-10-31)25-29-14-23(37-25)32-15-17-3-4-18(12-20(17)26(32)34)36-16-19-2-1-11-35-19;33-23(29-20-14-27-6-5-21(20)30-11-7-26-8-12-30)24-28-15-22(37-24)32-16-17-3-4-18(13-19(17)25(32)34)38(35,36)31-9-1-2-10-31;1-33-10-11-34-17-2-3-18-16(12-17)15-30(24(18)32)21-14-27-23(35-21)22(31)28-19-13-26-5-4-20(19)29-8-6-25-7-9-29;1-33-10-11-34-17-3-2-16-15-30(24(32)18(16)12-17)21-14-27-23(35-21)22(31)28-19-13-26-5-4-20(19)29-8-6-25-7-9-29;27-19(24-15-11-22-6-5-16(15)25-9-7-21-8-10-25)20-23-12-18(30-20)26-13-14-3-1-2-4-17(14)31(26,28)29/h2-5,14-16,27H,6-13,17H2,1H3,(H,30,33);3-6,12-14,19,27H,1-2,7-11,15-16H2,(H,30,33);3-6,13-15,26H,1-2,7-12,16H2,(H,29,33);2*2-5,12-14,25H,6-11,15H2,1H3,(H,28,31);1-6,11-12,21H,7-10,13H2,(H,24,27).

What are the key properties of 5-(1,1-dioxo-3H-1,2-benzothiazol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;5-[5-[2-(2-methoxyethoxy)ethoxy]-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;5-[5-(2-methoxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;5-[6-(2-methoxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;5-[3-oxo-5-(oxolan-2-ylmethoxy)-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;5-(3-oxo-5-pyrrolidin-1-ylsulfonyl-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide?

5-(1,1-dioxo-3H-1,2-benzothiazol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;5-[5-[2-(2-methoxyethoxy)ethoxy]-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;5-[5-(2-methoxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;5-[6-(2-methoxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;5-[3-oxo-5-(oxolan-2-ylmethoxy)-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;5-(3-oxo-5-pyrrolidin-1-ylsulfonyl-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide has a molecular weight of 2962.21 g/mol, XLogP of 11.33, 44 rotatable bonds, 12 hydrogen bond donors, and 54 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(1,1-dioxo-3H-1,2-benzothiazol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;5-[5-[2-(2-methoxyethoxy)ethoxy]-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;5-[5-(2-methoxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;5-[6-(2-methoxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;5-[3-oxo-5-(oxolan-2-ylmethoxy)-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;5-(3-oxo-5-pyrrolidin-1-ylsulfonyl-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide is sourced from PubChem (CID 158283058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).