2-amino-N-[2-chloro-5-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]phenyl]-1,3-oxazole-4-carboxamide;1-(2-amino-1,3-oxazol-4-yl)-2-[2-chloro-5-[4-(piperazin-1-ylmethyl)phenyl]phenyl]ethanone;1-(2-amino-1,3-oxazol-4-yl)-2-[2-chloro-5-(4-piperazin-1-ylphenyl)phenyl]ethanone;1-(2-amino-1,3-oxazol-4-yl)-2-[2-chloro-5-(1-piperidin-4-ylpyrazol-4-yl)phenyl]ethanone

C82H85Cl4N19O8 — CID 158205422

About 2-amino-N-[2-chloro-5-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]phenyl]-1,3-oxazole-4-carboxamide;1-(2-amino-1,3-oxazol-4-yl)-2-[2-chloro-5-[4-(piperazin-1-ylmethyl)phenyl]phenyl]ethanone;1-(2-amino-1,3-oxazol-4-yl)-2-[2-chloro-5-(4-piperazin-1-ylphenyl)phenyl]ethanone;1-(2-amino-1,3-oxazol-4-yl)-2-[2-chloro-5-(1-piperidin-4-ylpyrazol-4-yl)phenyl]ethanone

2-amino-N-[2-chloro-5-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]phenyl]-1,3-oxazole-4-carboxamide;1-(2-amino-1,3-oxazol-4-yl)-2-[2-chloro-5-[4-(piperazin-1-ylmethyl)phenyl]phenyl]ethanone;1-(2-amino-1,3-oxazol-4-yl)-2-[2-chloro-5-(4-piperazin-1-ylphenyl)phenyl]ethanone;1-(2-amino-1,3-oxazol-4-yl)-2-[2-chloro-5-(1-piperidin-4-ylpyrazol-4-yl)phenyl]ethanone (PubChem CID 158205422) has the molecular formula C82H85Cl4N19O8 and a molecular weight of 1606.52 g/mol. Its IUPAC name is 2-amino-N-[2-chloro-5-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]phenyl]-1,3-oxazole-4-carboxamide;1-(2-amino-1,3-oxazol-4-yl)-2-[2-chloro-5-[4-(piperazin-1-ylmethyl)phenyl]phenyl]ethanone;1-(2-amino-1,3-oxazol-4-yl)-2-[2-chloro-5-(4-piperazin-1-ylphenyl)phenyl]ethanone;1-(2-amino-1,3-oxazol-4-yl)-2-[2-chloro-5-(1-piperidin-4-ylpyrazol-4-yl)phenyl]ethanone.

Molecular Properties

• Compound Name: 2-amino-N-[2-chloro-5-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]phenyl]-1,3-oxazole-4-carboxamide;1-(2-amino-1,3-oxazol-4-yl)-2-[2-chloro-5-[4-(piperazin-1-ylmethyl)phenyl]phenyl]ethanone;1-(2-amino-1,3-oxazol-4-yl)-2-[2-chloro-5-(4-piperazin-1-ylphenyl)phenyl]ethanone;1-(2-amino-1,3-oxazol-4-yl)-2-[2-chloro-5-(1-piperidin-4-ylpyrazol-4-yl)phenyl]ethanone
• PubChem CID: 158205422
• Molecular Formula: C82H85Cl4N19O8
• Molecular Weight: 1606.52 g/mol
• Exact Mass: 1603.56
• IUPAC Name: 2-amino-N-[2-chloro-5-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]phenyl]-1,3-oxazole-4-carboxamide;1-(2-amino-1,3-oxazol-4-yl)-2-[2-chloro-5-[4-(piperazin-1-ylmethyl)phenyl]phenyl]ethanone;1-(2-amino-1,3-oxazol-4-yl)-2-[2-chloro-5-(4-piperazin-1-ylphenyl)phenyl]ethanone;1-(2-amino-1,3-oxazol-4-yl)-2-[2-chloro-5-(1-piperidin-4-ylpyrazol-4-yl)phenyl]ethanone
• SMILES: CN1CCN(c2ccc(-c3ccc(Cl)c(NC(=O)c4coc(N)n4)c3)cn2)CC1.Nc1nc(C(=O)Cc2cc(-c3ccc(CN4CCNCC4)cc3)ccc2Cl)co1.Nc1nc(C(=O)Cc2cc(-c3ccc(N4CCNCC4)cc3)ccc2Cl)co1.Nc1nc(C(=O)Cc2cc(-c3cnn(C4CCNCC4)c3)ccc2Cl)co1
• InChI: InChI=1S/C22H23ClN4O2.C21H21ClN4O2.C20H21ClN6O2.C19H20ClN5O2/c23-19-6-5-17(11-18(19)12-21(28)20-14-29-22(24)26-20)16-3-1-15(2-4-16)13-27-9-7-25-8-10-27;22-18-6-3-15(11-16(18)12-20(27)19-13-28-21(23)25-19)14-1-4-17(5-2-14)26-9-7-24-8-10-26;1-26-6-8-27(9-7-26)18-5-3-14(11-23-18)13-2-4-15(21)16(10-13)24-19(28)17-12-29-20(22)25-17;20-16-2-1-12(7-13(16)8-18(26)17-11-27-19(21)24-17)14-9-23-25(10-14)15-3-5-22-6-4-15/h1-6,11,14,25H,7-10,12-13H2,(H2,24,26);1-6,11,13,24H,7-10,12H2,(H2,23,25);2-5,10-12H,6-9H2,1H3,(H2,22,25)(H,24,28);1-2,7,9-11,15,22H,3-6,8H2,(H2,21,24)
• InChIKey: GBLBCPBMPOZJSE-UHFFFAOYSA-N
• XLogP: 12.92
• TPSA: 368.27 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 26
• Rotatable Bonds: 20
• Heavy Atoms: 113
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1606.52
LogP ≤ 5	12.92
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-chloro-5-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]phenyl]-1,3-oxazole-4-carboxamide;1-(2-amino-1,3-oxazol-4-yl)-2-[2-chloro-5-[4-(piperazin-1-ylmethyl)phenyl]phenyl]ethanone;1-(2-amino-1,3-oxazol-4-yl)-2-[2-chloro-5-(4-piperazin-1-ylphenyl)phenyl]ethanone;1-(2-amino-1,3-oxazol-4-yl)-2-[2-chloro-5-(1-piperidin-4-ylpyrazol-4-yl)phenyl]ethanone?

The IUPAC name of 2-amino-N-[2-chloro-5-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]phenyl]-1,3-oxazole-4-carboxamide;1-(2-amino-1,3-oxazol-4-yl)-2-[2-chloro-5-[4-(piperazin-1-ylmethyl)phenyl]phenyl]ethanone;1-(2-amino-1,3-oxazol-4-yl)-2-[2-chloro-5-(4-piperazin-1-ylphenyl)phenyl]ethanone;1-(2-amino-1,3-oxazol-4-yl)-2-[2-chloro-5-(1-piperidin-4-ylpyrazol-4-yl)phenyl]ethanone (CID 158205422) is 2-amino-N-[2-chloro-5-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]phenyl]-1,3-oxazole-4-carboxamide;1-(2-amino-1,3-oxazol-4-yl)-2-[2-chloro-5-[4-(piperazin-1-ylmethyl)phenyl]phenyl]ethanone;1-(2-amino-1,3-oxazol-4-yl)-2-[2-chloro-5-(4-piperazin-1-ylphenyl)phenyl]ethanone;1-(2-amino-1,3-oxazol-4-yl)-2-[2-chloro-5-(1-piperidin-4-ylpyrazol-4-yl)phenyl]ethanone.

What is the SMILES notation for 2-amino-N-[2-chloro-5-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]phenyl]-1,3-oxazole-4-carboxamide;1-(2-amino-1,3-oxazol-4-yl)-2-[2-chloro-5-[4-(piperazin-1-ylmethyl)phenyl]phenyl]ethanone;1-(2-amino-1,3-oxazol-4-yl)-2-[2-chloro-5-(4-piperazin-1-ylphenyl)phenyl]ethanone;1-(2-amino-1,3-oxazol-4-yl)-2-[2-chloro-5-(1-piperidin-4-ylpyrazol-4-yl)phenyl]ethanone?

The canonical SMILES for 2-amino-N-[2-chloro-5-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]phenyl]-1,3-oxazole-4-carboxamide;1-(2-amino-1,3-oxazol-4-yl)-2-[2-chloro-5-[4-(piperazin-1-ylmethyl)phenyl]phenyl]ethanone;1-(2-amino-1,3-oxazol-4-yl)-2-[2-chloro-5-(4-piperazin-1-ylphenyl)phenyl]ethanone;1-(2-amino-1,3-oxazol-4-yl)-2-[2-chloro-5-(1-piperidin-4-ylpyrazol-4-yl)phenyl]ethanone is CN1CCN(c2ccc(-c3ccc(Cl)c(NC(=O)c4coc(N)n4)c3)cn2)CC1.Nc1nc(C(=O)Cc2cc(-c3ccc(CN4CCNCC4)cc3)ccc2Cl)co1.Nc1nc(C(=O)Cc2cc(-c3ccc(N4CCNCC4)cc3)ccc2Cl)co1.Nc1nc(C(=O)Cc2cc(-c3cnn(C4CCNCC4)c3)ccc2Cl)co1.

What is the InChIKey of 2-amino-N-[2-chloro-5-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]phenyl]-1,3-oxazole-4-carboxamide;1-(2-amino-1,3-oxazol-4-yl)-2-[2-chloro-5-[4-(piperazin-1-ylmethyl)phenyl]phenyl]ethanone;1-(2-amino-1,3-oxazol-4-yl)-2-[2-chloro-5-(4-piperazin-1-ylphenyl)phenyl]ethanone;1-(2-amino-1,3-oxazol-4-yl)-2-[2-chloro-5-(1-piperidin-4-ylpyrazol-4-yl)phenyl]ethanone?

The InChIKey is GBLBCPBMPOZJSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN4O2.C21H21ClN4O2.C20H21ClN6O2.C19H20ClN5O2/c23-19-6-5-17(11-18(19)12-21(28)20-14-29-22(24)26-20)16-3-1-15(2-4-16)13-27-9-7-25-8-10-27;22-18-6-3-15(11-16(18)12-20(27)19-13-28-21(23)25-19)14-1-4-17(5-2-14)26-9-7-24-8-10-26;1-26-6-8-27(9-7-26)18-5-3-14(11-23-18)13-2-4-15(21)16(10-13)24-19(28)17-12-29-20(22)25-17;20-16-2-1-12(7-13(16)8-18(26)17-11-27-19(21)24-17)14-9-23-25(10-14)15-3-5-22-6-4-15/h1-6,11,14,25H,7-10,12-13H2,(H2,24,26);1-6,11,13,24H,7-10,12H2,(H2,23,25);2-5,10-12H,6-9H2,1H3,(H2,22,25)(H,24,28);1-2,7,9-11,15,22H,3-6,8H2,(H2,21,24).

What are the key properties of 2-amino-N-[2-chloro-5-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]phenyl]-1,3-oxazole-4-carboxamide;1-(2-amino-1,3-oxazol-4-yl)-2-[2-chloro-5-[4-(piperazin-1-ylmethyl)phenyl]phenyl]ethanone;1-(2-amino-1,3-oxazol-4-yl)-2-[2-chloro-5-(4-piperazin-1-ylphenyl)phenyl]ethanone;1-(2-amino-1,3-oxazol-4-yl)-2-[2-chloro-5-(1-piperidin-4-ylpyrazol-4-yl)phenyl]ethanone?

2-amino-N-[2-chloro-5-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]phenyl]-1,3-oxazole-4-carboxamide;1-(2-amino-1,3-oxazol-4-yl)-2-[2-chloro-5-[4-(piperazin-1-ylmethyl)phenyl]phenyl]ethanone;1-(2-amino-1,3-oxazol-4-yl)-2-[2-chloro-5-(4-piperazin-1-ylphenyl)phenyl]ethanone;1-(2-amino-1,3-oxazol-4-yl)-2-[2-chloro-5-(1-piperidin-4-ylpyrazol-4-yl)phenyl]ethanone has a molecular weight of 1606.52 g/mol, XLogP of 12.92, 20 rotatable bonds, 8 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-N-[2-chloro-5-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]phenyl]-1,3-oxazole-4-carboxamide;1-(2-amino-1,3-oxazol-4-yl)-2-[2-chloro-5-[4-(piperazin-1-ylmethyl)phenyl]phenyl]ethanone;1-(2-amino-1,3-oxazol-4-yl)-2-[2-chloro-5-(4-piperazin-1-ylphenyl)phenyl]ethanone;1-(2-amino-1,3-oxazol-4-yl)-2-[2-chloro-5-(1-piperidin-4-ylpyrazol-4-yl)phenyl]ethanone is sourced from PubChem (CID 158205422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).