2-(5,6-dimethoxy-1,3-dihydroisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-5-carboxamide;2-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-5-carboxamide;2-(5-methoxy-1,3-dihydroisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-5-carboxamide;2-(5-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-5-carboxamide;2-(6-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-5-carboxamide;2-(7-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-5-carboxamide

C134H140N36O24 — CID 158103818

About 2-(5,6-dimethoxy-1,3-dihydroisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-5-carboxamide;2-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-5-carboxamide;2-(5-methoxy-1,3-dihydroisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-5-carboxamide;2-(5-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-5-carboxamide;2-(6-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-5-carboxamide;2-(7-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-5-carboxamide

2-(5,6-dimethoxy-1,3-dihydroisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-5-carboxamide;2-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-5-carboxamide;2-(5-methoxy-1,3-dihydroisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-5-carboxamide;2-(5-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-5-carboxamide;2-(6-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-5-carboxamide;2-(7-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-5-carboxamide (PubChem CID 158103818) has the molecular formula C134H140N36O24 and a molecular weight of 2638.82 g/mol. Its IUPAC name is 2-(5,6-dimethoxy-1,3-dihydroisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-5-carboxamide;2-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-5-carboxamide;2-(5-methoxy-1,3-dihydroisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-5-carboxamide;2-(5-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-5-carboxamide;2-(6-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-5-carboxamide;2-(7-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-5-carboxamide.

Molecular Properties

• Compound Name: 2-(5,6-dimethoxy-1,3-dihydroisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-5-carboxamide;2-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-5-carboxamide;2-(5-methoxy-1,3-dihydroisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-5-carboxamide;2-(5-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-5-carboxamide;2-(6-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-5-carboxamide;2-(7-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-5-carboxamide
• PubChem CID: 158103818
• Molecular Formula: C134H140N36O24
• Molecular Weight: 2638.82 g/mol
• Exact Mass: 2637.08
• IUPAC Name: 2-(5,6-dimethoxy-1,3-dihydroisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-5-carboxamide;2-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-5-carboxamide;2-(5-methoxy-1,3-dihydroisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-5-carboxamide;2-(5-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-5-carboxamide;2-(6-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-5-carboxamide;2-(7-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-5-carboxamide
• SMILES: COc1cc2c(cc1OC)C(=O)N(c1ncc(C(=O)Nc3cnccc3N3CCNCC3)o1)C2.COc1cc2c(cc1OC)CN(c1ncc(C(=O)Nc3cnccc3N3CCNCC3)o1)C2.COc1ccc2c(c1)C(=O)N(c1ncc(C(=O)Nc3cnccc3N3CCNCC3)o1)C2.COc1ccc2c(c1)CN(c1ncc(C(=O)Nc3cnccc3N3CCNCC3)o1)C2.COc1ccc2c(c1)CN(c1ncc(C(=O)Nc3cnccc3N3CCNCC3)o1)C2=O.COc1cccc2c1CN(c1ncc(C(=O)Nc3cnccc3N3CCNCC3)o1)C2=O
• InChI: InChI=1S/C23H24N6O5.C23H26N6O4.3C22H22N6O4.C22H24N6O3/c1-32-18-9-14-13-29(22(31)15(14)10-19(18)33-2)23-26-12-20(34-23)21(30)27-16-11-25-4-3-17(16)28-7-5-24-6-8-28;1-31-19-9-15-13-29(14-16(15)10-20(19)32-2)23-26-12-21(33-23)22(30)27-17-11-25-4-3-18(17)28-7-5-24-6-8-28;1-31-15-2-3-16-14(10-15)13-28(21(16)30)22-25-12-19(32-22)20(29)26-17-11-24-5-4-18(17)27-8-6-23-7-9-27;1-31-15-3-2-14-13-28(21(30)16(14)10-15)22-25-12-19(32-22)20(29)26-17-11-24-5-4-18(17)27-8-6-23-7-9-27;1-31-18-4-2-3-14-15(18)13-28(21(14)30)22-25-12-19(32-22)20(29)26-16-11-24-6-5-17(16)27-9-7-23-8-10-27;1-30-17-3-2-15-13-28(14-16(15)10-17)22-25-12-20(31-22)21(29)26-18-11-24-5-4-19(18)27-8-6-23-7-9-27/h3-4,9-12,24H,5-8,13H2,1-2H3,(H,27,30);3-4,9-12,24H,5-8,13-14H2,1-2H3,(H,27,30);2*2-5,10-12,23H,6-9,13H2,1H3,(H,26,29);2-6,11-12,23H,7-10,13H2,1H3,(H,26,29);2-5,10-12,23H,6-9,13-14H2,1H3,(H,26,29)
• InChIKey: FPPABMPWJQIYGP-UHFFFAOYSA-N
• XLogP: 12.14
• TPSA: 661.30 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 50
• Rotatable Bonds: 32
• Heavy Atoms: 194
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2638.82
LogP ≤ 5	12.14
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	50

Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dimethoxy-1,3-dihydroisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-5-carboxamide;2-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-5-carboxamide;2-(5-methoxy-1,3-dihydroisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-5-carboxamide;2-(5-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-5-carboxamide;2-(6-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-5-carboxamide;2-(7-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-5-carboxamide?

The IUPAC name of 2-(5,6-dimethoxy-1,3-dihydroisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-5-carboxamide;2-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-5-carboxamide;2-(5-methoxy-1,3-dihydroisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-5-carboxamide;2-(5-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-5-carboxamide;2-(6-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-5-carboxamide;2-(7-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-5-carboxamide (CID 158103818) is 2-(5,6-dimethoxy-1,3-dihydroisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-5-carboxamide;2-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-5-carboxamide;2-(5-methoxy-1,3-dihydroisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-5-carboxamide;2-(5-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-5-carboxamide;2-(6-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-5-carboxamide;2-(7-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-5-carboxamide.

What is the SMILES notation for 2-(5,6-dimethoxy-1,3-dihydroisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-5-carboxamide;2-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-5-carboxamide;2-(5-methoxy-1,3-dihydroisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-5-carboxamide;2-(5-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-5-carboxamide;2-(6-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-5-carboxamide;2-(7-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-5-carboxamide?

The canonical SMILES for 2-(5,6-dimethoxy-1,3-dihydroisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-5-carboxamide;2-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-5-carboxamide;2-(5-methoxy-1,3-dihydroisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-5-carboxamide;2-(5-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-5-carboxamide;2-(6-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-5-carboxamide;2-(7-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-5-carboxamide is COc1cc2c(cc1OC)C(=O)N(c1ncc(C(=O)Nc3cnccc3N3CCNCC3)o1)C2.COc1cc2c(cc1OC)CN(c1ncc(C(=O)Nc3cnccc3N3CCNCC3)o1)C2.COc1ccc2c(c1)C(=O)N(c1ncc(C(=O)Nc3cnccc3N3CCNCC3)o1)C2.COc1ccc2c(c1)CN(c1ncc(C(=O)Nc3cnccc3N3CCNCC3)o1)C2.COc1ccc2c(c1)CN(c1ncc(C(=O)Nc3cnccc3N3CCNCC3)o1)C2=O.COc1cccc2c1CN(c1ncc(C(=O)Nc3cnccc3N3CCNCC3)o1)C2=O.

What is the InChIKey of 2-(5,6-dimethoxy-1,3-dihydroisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-5-carboxamide;2-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-5-carboxamide;2-(5-methoxy-1,3-dihydroisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-5-carboxamide;2-(5-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-5-carboxamide;2-(6-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-5-carboxamide;2-(7-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-5-carboxamide?

The InChIKey is FPPABMPWJQIYGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O5.C23H26N6O4.3C22H22N6O4.C22H24N6O3/c1-32-18-9-14-13-29(22(31)15(14)10-19(18)33-2)23-26-12-20(34-23)21(30)27-16-11-25-4-3-17(16)28-7-5-24-6-8-28;1-31-19-9-15-13-29(14-16(15)10-20(19)32-2)23-26-12-21(33-23)22(30)27-17-11-25-4-3-18(17)28-7-5-24-6-8-28;1-31-15-2-3-16-14(10-15)13-28(21(16)30)22-25-12-19(32-22)20(29)26-17-11-24-5-4-18(17)27-8-6-23-7-9-27;1-31-15-3-2-14-13-28(21(30)16(14)10-15)22-25-12-19(32-22)20(29)26-17-11-24-5-4-18(17)27-8-6-23-7-9-27;1-31-18-4-2-3-14-15(18)13-28(21(14)30)22-25-12-19(32-22)20(29)26-16-11-24-6-5-17(16)27-9-7-23-8-10-27;1-30-17-3-2-15-13-28(14-16(15)10-17)22-25-12-20(31-22)21(29)26-18-11-24-5-4-19(18)27-8-6-23-7-9-27/h3-4,9-12,24H,5-8,13H2,1-2H3,(H,27,30);3-4,9-12,24H,5-8,13-14H2,1-2H3,(H,27,30);2*2-5,10-12,23H,6-9,13H2,1H3,(H,26,29);2-6,11-12,23H,7-10,13H2,1H3,(H,26,29);2-5,10-12,23H,6-9,13-14H2,1H3,(H,26,29).

What are the key properties of 2-(5,6-dimethoxy-1,3-dihydroisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-5-carboxamide;2-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-5-carboxamide;2-(5-methoxy-1,3-dihydroisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-5-carboxamide;2-(5-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-5-carboxamide;2-(6-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-5-carboxamide;2-(7-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-5-carboxamide?

2-(5,6-dimethoxy-1,3-dihydroisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-5-carboxamide;2-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-5-carboxamide;2-(5-methoxy-1,3-dihydroisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-5-carboxamide;2-(5-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-5-carboxamide;2-(6-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-5-carboxamide;2-(7-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-5-carboxamide has a molecular weight of 2638.82 g/mol, XLogP of 12.14, 32 rotatable bonds, 12 hydrogen bond donors, and 50 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(5,6-dimethoxy-1,3-dihydroisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-5-carboxamide;2-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-5-carboxamide;2-(5-methoxy-1,3-dihydroisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-5-carboxamide;2-(5-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-5-carboxamide;2-(6-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-5-carboxamide;2-(7-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 158103818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).