2-amino-N-[2-chloro-5-[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]phenyl]-1,3-oxazole-4-carboxamide;2-amino-N-[2-chloro-5-[2-[2-(dimethylamino)ethoxy]pyrimidin-5-yl]phenyl]-1,3-oxazole-4-carboxamide;1-(2-amino-1,3-oxazol-4-yl)-2-[2-chloro-5-[4-[2-(dimethylamino)ethoxy]phenyl]phenyl]ethanone;1-(2-amino-1,3-oxazol-4-yl)-2-[2-chloro-5-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]phenyl]ethanone

C79H84Cl4N18O12 — CID 159157515

About 2-amino-N-[2-chloro-5-[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]phenyl]-1,3-oxazole-4-carboxamide;2-amino-N-[2-chloro-5-[2-[2-(dimethylamino)ethoxy]pyrimidin-5-yl]phenyl]-1,3-oxazole-4-carboxamide;1-(2-amino-1,3-oxazol-4-yl)-2-[2-chloro-5-[4-[2-(dimethylamino)ethoxy]phenyl]phenyl]ethanone;1-(2-amino-1,3-oxazol-4-yl)-2-[2-chloro-5-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]phenyl]ethanone

2-amino-N-[2-chloro-5-[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]phenyl]-1,3-oxazole-4-carboxamide;2-amino-N-[2-chloro-5-[2-[2-(dimethylamino)ethoxy]pyrimidin-5-yl]phenyl]-1,3-oxazole-4-carboxamide;1-(2-amino-1,3-oxazol-4-yl)-2-[2-chloro-5-[4-[2-(dimethylamino)ethoxy]phenyl]phenyl]ethanone;1-(2-amino-1,3-oxazol-4-yl)-2-[2-chloro-5-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]phenyl]ethanone (PubChem CID 159157515) has the molecular formula C79H84Cl4N18O12 and a molecular weight of 1619.47 g/mol. Its IUPAC name is 2-amino-N-[2-chloro-5-[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]phenyl]-1,3-oxazole-4-carboxamide;2-amino-N-[2-chloro-5-[2-[2-(dimethylamino)ethoxy]pyrimidin-5-yl]phenyl]-1,3-oxazole-4-carboxamide;1-(2-amino-1,3-oxazol-4-yl)-2-[2-chloro-5-[4-[2-(dimethylamino)ethoxy]phenyl]phenyl]ethanone;1-(2-amino-1,3-oxazol-4-yl)-2-[2-chloro-5-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]phenyl]ethanone.

Molecular Properties

• Compound Name: 2-amino-N-[2-chloro-5-[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]phenyl]-1,3-oxazole-4-carboxamide;2-amino-N-[2-chloro-5-[2-[2-(dimethylamino)ethoxy]pyrimidin-5-yl]phenyl]-1,3-oxazole-4-carboxamide;1-(2-amino-1,3-oxazol-4-yl)-2-[2-chloro-5-[4-[2-(dimethylamino)ethoxy]phenyl]phenyl]ethanone;1-(2-amino-1,3-oxazol-4-yl)-2-[2-chloro-5-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]phenyl]ethanone
• PubChem CID: 159157515
• Molecular Formula: C79H84Cl4N18O12
• Molecular Weight: 1619.47 g/mol
• Exact Mass: 1616.53
• IUPAC Name: 2-amino-N-[2-chloro-5-[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]phenyl]-1,3-oxazole-4-carboxamide;2-amino-N-[2-chloro-5-[2-[2-(dimethylamino)ethoxy]pyrimidin-5-yl]phenyl]-1,3-oxazole-4-carboxamide;1-(2-amino-1,3-oxazol-4-yl)-2-[2-chloro-5-[4-[2-(dimethylamino)ethoxy]phenyl]phenyl]ethanone;1-(2-amino-1,3-oxazol-4-yl)-2-[2-chloro-5-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]phenyl]ethanone
• SMILES: CN(C)CCCOc1ccc(-c2ccc(Cl)c(CC(=O)c3coc(N)n3)c2)cn1.CN(C)CCOc1ccc(-c2ccc(Cl)c(CC(=O)c3coc(N)n3)c2)cc1.CN(C)CCOc1ccc(-c2ccc(Cl)c(NC(=O)c3coc(N)n3)c2)cn1.CN(C)CCOc1ncc(-c2ccc(Cl)c(NC(=O)c3coc(N)n3)c2)cn1
• InChI: InChI=1S/C21H23ClN4O3.C21H22ClN3O3.C19H20ClN5O3.C18H19ClN6O3/c1-26(2)8-3-9-28-20-7-5-15(12-24-20)14-4-6-17(22)16(10-14)11-19(27)18-13-29-21(23)25-18;1-25(2)9-10-27-17-6-3-14(4-7-17)15-5-8-18(22)16(11-15)12-20(26)19-13-28-21(23)24-19;1-25(2)7-8-27-17-6-4-13(10-22-17)12-3-5-14(20)15(9-12)23-18(26)16-11-28-19(21)24-16;1-25(2)5-6-27-18-21-8-12(9-22-18)11-3-4-13(19)14(7-11)23-16(26)15-10-28-17(20)24-15/h4-7,10,12-13H,3,8-9,11H2,1-2H3,(H2,23,25);3-8,11,13H,9-10,12H2,1-2H3,(H2,23,24);3-6,9-11H,7-8H2,1-2H3,(H2,21,24)(H,23,26);3-4,7-10H,5-6H2,1-2H3,(H2,20,24)(H,23,26)
• InChIKey: KKBRCEAWIDCTDU-UHFFFAOYSA-N
• XLogP: 13.40
• TPSA: 401.98 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 28
• Rotatable Bonds: 31
• Heavy Atoms: 113
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1619.47
LogP ≤ 5	13.40
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-chloro-5-[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]phenyl]-1,3-oxazole-4-carboxamide;2-amino-N-[2-chloro-5-[2-[2-(dimethylamino)ethoxy]pyrimidin-5-yl]phenyl]-1,3-oxazole-4-carboxamide;1-(2-amino-1,3-oxazol-4-yl)-2-[2-chloro-5-[4-[2-(dimethylamino)ethoxy]phenyl]phenyl]ethanone;1-(2-amino-1,3-oxazol-4-yl)-2-[2-chloro-5-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]phenyl]ethanone?

The IUPAC name of 2-amino-N-[2-chloro-5-[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]phenyl]-1,3-oxazole-4-carboxamide;2-amino-N-[2-chloro-5-[2-[2-(dimethylamino)ethoxy]pyrimidin-5-yl]phenyl]-1,3-oxazole-4-carboxamide;1-(2-amino-1,3-oxazol-4-yl)-2-[2-chloro-5-[4-[2-(dimethylamino)ethoxy]phenyl]phenyl]ethanone;1-(2-amino-1,3-oxazol-4-yl)-2-[2-chloro-5-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]phenyl]ethanone (CID 159157515) is 2-amino-N-[2-chloro-5-[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]phenyl]-1,3-oxazole-4-carboxamide;2-amino-N-[2-chloro-5-[2-[2-(dimethylamino)ethoxy]pyrimidin-5-yl]phenyl]-1,3-oxazole-4-carboxamide;1-(2-amino-1,3-oxazol-4-yl)-2-[2-chloro-5-[4-[2-(dimethylamino)ethoxy]phenyl]phenyl]ethanone;1-(2-amino-1,3-oxazol-4-yl)-2-[2-chloro-5-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]phenyl]ethanone.

What is the SMILES notation for 2-amino-N-[2-chloro-5-[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]phenyl]-1,3-oxazole-4-carboxamide;2-amino-N-[2-chloro-5-[2-[2-(dimethylamino)ethoxy]pyrimidin-5-yl]phenyl]-1,3-oxazole-4-carboxamide;1-(2-amino-1,3-oxazol-4-yl)-2-[2-chloro-5-[4-[2-(dimethylamino)ethoxy]phenyl]phenyl]ethanone;1-(2-amino-1,3-oxazol-4-yl)-2-[2-chloro-5-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]phenyl]ethanone?

The canonical SMILES for 2-amino-N-[2-chloro-5-[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]phenyl]-1,3-oxazole-4-carboxamide;2-amino-N-[2-chloro-5-[2-[2-(dimethylamino)ethoxy]pyrimidin-5-yl]phenyl]-1,3-oxazole-4-carboxamide;1-(2-amino-1,3-oxazol-4-yl)-2-[2-chloro-5-[4-[2-(dimethylamino)ethoxy]phenyl]phenyl]ethanone;1-(2-amino-1,3-oxazol-4-yl)-2-[2-chloro-5-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]phenyl]ethanone is CN(C)CCCOc1ccc(-c2ccc(Cl)c(CC(=O)c3coc(N)n3)c2)cn1.CN(C)CCOc1ccc(-c2ccc(Cl)c(CC(=O)c3coc(N)n3)c2)cc1.CN(C)CCOc1ccc(-c2ccc(Cl)c(NC(=O)c3coc(N)n3)c2)cn1.CN(C)CCOc1ncc(-c2ccc(Cl)c(NC(=O)c3coc(N)n3)c2)cn1.

What is the InChIKey of 2-amino-N-[2-chloro-5-[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]phenyl]-1,3-oxazole-4-carboxamide;2-amino-N-[2-chloro-5-[2-[2-(dimethylamino)ethoxy]pyrimidin-5-yl]phenyl]-1,3-oxazole-4-carboxamide;1-(2-amino-1,3-oxazol-4-yl)-2-[2-chloro-5-[4-[2-(dimethylamino)ethoxy]phenyl]phenyl]ethanone;1-(2-amino-1,3-oxazol-4-yl)-2-[2-chloro-5-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]phenyl]ethanone?

The InChIKey is KKBRCEAWIDCTDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN4O3.C21H22ClN3O3.C19H20ClN5O3.C18H19ClN6O3/c1-26(2)8-3-9-28-20-7-5-15(12-24-20)14-4-6-17(22)16(10-14)11-19(27)18-13-29-21(23)25-18;1-25(2)9-10-27-17-6-3-14(4-7-17)15-5-8-18(22)16(11-15)12-20(26)19-13-28-21(23)24-19;1-25(2)7-8-27-17-6-4-13(10-22-17)12-3-5-14(20)15(9-12)23-18(26)16-11-28-19(21)24-16;1-25(2)5-6-27-18-21-8-12(9-22-18)11-3-4-13(19)14(7-11)23-16(26)15-10-28-17(20)24-15/h4-7,10,12-13H,3,8-9,11H2,1-2H3,(H2,23,25);3-8,11,13H,9-10,12H2,1-2H3,(H2,23,24);3-6,9-11H,7-8H2,1-2H3,(H2,21,24)(H,23,26);3-4,7-10H,5-6H2,1-2H3,(H2,20,24)(H,23,26).

What are the key properties of 2-amino-N-[2-chloro-5-[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]phenyl]-1,3-oxazole-4-carboxamide;2-amino-N-[2-chloro-5-[2-[2-(dimethylamino)ethoxy]pyrimidin-5-yl]phenyl]-1,3-oxazole-4-carboxamide;1-(2-amino-1,3-oxazol-4-yl)-2-[2-chloro-5-[4-[2-(dimethylamino)ethoxy]phenyl]phenyl]ethanone;1-(2-amino-1,3-oxazol-4-yl)-2-[2-chloro-5-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]phenyl]ethanone?

2-amino-N-[2-chloro-5-[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]phenyl]-1,3-oxazole-4-carboxamide;2-amino-N-[2-chloro-5-[2-[2-(dimethylamino)ethoxy]pyrimidin-5-yl]phenyl]-1,3-oxazole-4-carboxamide;1-(2-amino-1,3-oxazol-4-yl)-2-[2-chloro-5-[4-[2-(dimethylamino)ethoxy]phenyl]phenyl]ethanone;1-(2-amino-1,3-oxazol-4-yl)-2-[2-chloro-5-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]phenyl]ethanone has a molecular weight of 1619.47 g/mol, XLogP of 13.40, 31 rotatable bonds, 6 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-N-[2-chloro-5-[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]phenyl]-1,3-oxazole-4-carboxamide;2-amino-N-[2-chloro-5-[2-[2-(dimethylamino)ethoxy]pyrimidin-5-yl]phenyl]-1,3-oxazole-4-carboxamide;1-(2-amino-1,3-oxazol-4-yl)-2-[2-chloro-5-[4-[2-(dimethylamino)ethoxy]phenyl]phenyl]ethanone;1-(2-amino-1,3-oxazol-4-yl)-2-[2-chloro-5-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]phenyl]ethanone is sourced from PubChem (CID 159157515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).