N'-[2-amino-6-[2-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]ethyl-methylamino]pyrimidin-4-yl]-1,3-oxazole-2-carbohydrazide;tert-butyl N-[2-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]ethyl]-N-methylcarbamate;6-chloro-4-N-[2-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]ethyl]-4-N-methylpyrimidine-2,4-diamine;1-[4-(2-methoxyethoxy)phenyl]piperazine;7-N-[2-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]ethyl]-7-N-methyl-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine;2-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]-N-methylethanamine;1,3-oxazole-2-carbohydrazide

C122H180ClN35O19 — CID 167585601

About N'-[2-amino-6-[2-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]ethyl-methylamino]pyrimidin-4-yl]-1,3-oxazole-2-carbohydrazide;tert-butyl N-[2-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]ethyl]-N-methylcarbamate;6-chloro-4-N-[2-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]ethyl]-4-N-methylpyrimidine-2,4-diamine;1-[4-(2-methoxyethoxy)phenyl]piperazine;7-N-[2-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]ethyl]-7-N-methyl-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine;2-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]-N-methylethanamine;1,3-oxazole-2-carbohydrazide

N'-[2-amino-6-[2-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]ethyl-methylamino]pyrimidin-4-yl]-1,3-oxazole-2-carbohydrazide;tert-butyl N-[2-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]ethyl]-N-methylcarbamate;6-chloro-4-N-[2-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]ethyl]-4-N-methylpyrimidine-2,4-diamine;1-[4-(2-methoxyethoxy)phenyl]piperazine;7-N-[2-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]ethyl]-7-N-methyl-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine;2-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]-N-methylethanamine;1,3-oxazole-2-carbohydrazide (PubChem CID 167585601) has the molecular formula C122H180ClN35O19 and a molecular weight of 2476.46 g/mol. Its IUPAC name is N'-[2-amino-6-[2-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]ethyl-methylamino]pyrimidin-4-yl]-1,3-oxazole-2-carbohydrazide;tert-butyl N-[2-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]ethyl]-N-methylcarbamate;6-chloro-4-N-[2-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]ethyl]-4-N-methylpyrimidine-2,4-diamine;1-[4-(2-methoxyethoxy)phenyl]piperazine;7-N-[2-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]ethyl]-7-N-methyl-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine;2-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]-N-methylethanamine;1,3-oxazole-2-carbohydrazide.

Molecular Properties

• Compound Name: N'-[2-amino-6-[2-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]ethyl-methylamino]pyrimidin-4-yl]-1,3-oxazole-2-carbohydrazide;tert-butyl N-[2-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]ethyl]-N-methylcarbamate;6-chloro-4-N-[2-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]ethyl]-4-N-methylpyrimidine-2,4-diamine;1-[4-(2-methoxyethoxy)phenyl]piperazine;7-N-[2-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]ethyl]-7-N-methyl-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine;2-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]-N-methylethanamine;1,3-oxazole-2-carbohydrazide
• PubChem CID: 167585601
• Molecular Formula: C122H180ClN35O19
• Molecular Weight: 2476.46 g/mol
• Exact Mass: 2474.39
• IUPAC Name: N'-[2-amino-6-[2-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]ethyl-methylamino]pyrimidin-4-yl]-1,3-oxazole-2-carbohydrazide;tert-butyl N-[2-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]ethyl]-N-methylcarbamate;6-chloro-4-N-[2-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]ethyl]-4-N-methylpyrimidine-2,4-diamine;1-[4-(2-methoxyethoxy)phenyl]piperazine;7-N-[2-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]ethyl]-7-N-methyl-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine;2-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]-N-methylethanamine;1,3-oxazole-2-carbohydrazide
• SMILES: CNCCN1CCN(c2ccc(OCCOC)cc2)CC1.COCCOc1ccc(N2CCN(CCN(C)C(=O)OC(C)(C)C)CC2)cc1.COCCOc1ccc(N2CCN(CCN(C)c3cc(Cl)nc(N)n3)CC2)cc1.COCCOc1ccc(N2CCN(CCN(C)c3cc(NNC(=O)c4ncco4)nc(N)n3)CC2)cc1.COCCOc1ccc(N2CCN(CCN(C)c3cc4nc(-c5ncco5)nn4c(N)n3)CC2)cc1.COCCOc1ccc(N2CCNCC2)cc1.NNC(=O)c1ncco1
• InChI: InChI=1S/C24H33N9O4.C24H31N9O3.C21H35N3O4.C20H29ClN6O2.C16H27N3O2.C13H20N2O2.C4H5N3O2/c1-31(21-17-20(27-24(25)28-21)29-30-22(34)23-26-7-14-37-23)8-9-32-10-12-33(13-11-32)18-3-5-19(6-4-18)36-16-15-35-2;1-30(20-17-21-27-22(23-26-7-14-36-23)29-33(21)24(25)28-20)8-9-31-10-12-32(13-11-31)18-3-5-19(6-4-18)35-16-15-34-2;1-21(2,3)28-20(25)22(4)10-11-23-12-14-24(15-13-23)18-6-8-19(9-7-18)27-17-16-26-5;1-25(19-15-18(21)23-20(22)24-19)7-8-26-9-11-27(12-10-26)16-3-5-17(6-4-16)29-14-13-28-2;1-17-7-8-18-9-11-19(12-10-18)15-3-5-16(6-4-15)21-14-13-20-2;1-16-10-11-17-13-4-2-12(3-5-13)15-8-6-14-7-9-15;5-7-3(8)4-6-1-2-9-4/h3-7,14,17H,8-13,15-16H2,1-2H3,(H,30,34)(H3,25,27,28,29);3-7,14,17H,8-13,15-16H2,1-2H3,(H2,25,28);6-9H,10-17H2,1-5H3;3-6,15H,7-14H2,1-2H3,(H2,22,23,24);3-6,17H,7-14H2,1-2H3;2-5,14H,6-11H2,1H3;1-2H,5H2,(H,7,8)
• InChIKey: HTKZNZWOCLEODF-UHFFFAOYSA-N
• XLogP: 8.88
• TPSA: 556.76 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 51
• Rotatable Bonds: 53
• Heavy Atoms: 177
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2476.46
LogP ≤ 5	8.88
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	51

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N'-[2-amino-6-[2-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]ethyl-methylamino]pyrimidin-4-yl]-1,3-oxazole-2-carbohydrazide;tert-butyl N-[2-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]ethyl]-N-methylcarbamate;6-chloro-4-N-[2-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]ethyl]-4-N-methylpyrimidine-2,4-diamine;1-[4-(2-methoxyethoxy)phenyl]piperazine;7-N-[2-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]ethyl]-7-N-methyl-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine;2-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]-N-methylethanamine;1,3-oxazole-2-carbohydrazide?

The IUPAC name of N'-[2-amino-6-[2-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]ethyl-methylamino]pyrimidin-4-yl]-1,3-oxazole-2-carbohydrazide;tert-butyl N-[2-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]ethyl]-N-methylcarbamate;6-chloro-4-N-[2-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]ethyl]-4-N-methylpyrimidine-2,4-diamine;1-[4-(2-methoxyethoxy)phenyl]piperazine;7-N-[2-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]ethyl]-7-N-methyl-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine;2-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]-N-methylethanamine;1,3-oxazole-2-carbohydrazide (CID 167585601) is N'-[2-amino-6-[2-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]ethyl-methylamino]pyrimidin-4-yl]-1,3-oxazole-2-carbohydrazide;tert-butyl N-[2-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]ethyl]-N-methylcarbamate;6-chloro-4-N-[2-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]ethyl]-4-N-methylpyrimidine-2,4-diamine;1-[4-(2-methoxyethoxy)phenyl]piperazine;7-N-[2-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]ethyl]-7-N-methyl-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine;2-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]-N-methylethanamine;1,3-oxazole-2-carbohydrazide.

What is the SMILES notation for N'-[2-amino-6-[2-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]ethyl-methylamino]pyrimidin-4-yl]-1,3-oxazole-2-carbohydrazide;tert-butyl N-[2-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]ethyl]-N-methylcarbamate;6-chloro-4-N-[2-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]ethyl]-4-N-methylpyrimidine-2,4-diamine;1-[4-(2-methoxyethoxy)phenyl]piperazine;7-N-[2-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]ethyl]-7-N-methyl-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine;2-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]-N-methylethanamine;1,3-oxazole-2-carbohydrazide?

The canonical SMILES for N'-[2-amino-6-[2-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]ethyl-methylamino]pyrimidin-4-yl]-1,3-oxazole-2-carbohydrazide;tert-butyl N-[2-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]ethyl]-N-methylcarbamate;6-chloro-4-N-[2-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]ethyl]-4-N-methylpyrimidine-2,4-diamine;1-[4-(2-methoxyethoxy)phenyl]piperazine;7-N-[2-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]ethyl]-7-N-methyl-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine;2-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]-N-methylethanamine;1,3-oxazole-2-carbohydrazide is CNCCN1CCN(c2ccc(OCCOC)cc2)CC1.COCCOc1ccc(N2CCN(CCN(C)C(=O)OC(C)(C)C)CC2)cc1.COCCOc1ccc(N2CCN(CCN(C)c3cc(Cl)nc(N)n3)CC2)cc1.COCCOc1ccc(N2CCN(CCN(C)c3cc(NNC(=O)c4ncco4)nc(N)n3)CC2)cc1.COCCOc1ccc(N2CCN(CCN(C)c3cc4nc(-c5ncco5)nn4c(N)n3)CC2)cc1.COCCOc1ccc(N2CCNCC2)cc1.NNC(=O)c1ncco1.

What is the InChIKey of N'-[2-amino-6-[2-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]ethyl-methylamino]pyrimidin-4-yl]-1,3-oxazole-2-carbohydrazide;tert-butyl N-[2-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]ethyl]-N-methylcarbamate;6-chloro-4-N-[2-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]ethyl]-4-N-methylpyrimidine-2,4-diamine;1-[4-(2-methoxyethoxy)phenyl]piperazine;7-N-[2-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]ethyl]-7-N-methyl-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine;2-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]-N-methylethanamine;1,3-oxazole-2-carbohydrazide?

The InChIKey is HTKZNZWOCLEODF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N9O4.C24H31N9O3.C21H35N3O4.C20H29ClN6O2.C16H27N3O2.C13H20N2O2.C4H5N3O2/c1-31(21-17-20(27-24(25)28-21)29-30-22(34)23-26-7-14-37-23)8-9-32-10-12-33(13-11-32)18-3-5-19(6-4-18)36-16-15-35-2;1-30(20-17-21-27-22(23-26-7-14-36-23)29-33(21)24(25)28-20)8-9-31-10-12-32(13-11-31)18-3-5-19(6-4-18)35-16-15-34-2;1-21(2,3)28-20(25)22(4)10-11-23-12-14-24(15-13-23)18-6-8-19(9-7-18)27-17-16-26-5;1-25(19-15-18(21)23-20(22)24-19)7-8-26-9-11-27(12-10-26)16-3-5-17(6-4-16)29-14-13-28-2;1-17-7-8-18-9-11-19(12-10-18)15-3-5-16(6-4-15)21-14-13-20-2;1-16-10-11-17-13-4-2-12(3-5-13)15-8-6-14-7-9-15;5-7-3(8)4-6-1-2-9-4/h3-7,14,17H,8-13,15-16H2,1-2H3,(H,30,34)(H3,25,27,28,29);3-7,14,17H,8-13,15-16H2,1-2H3,(H2,25,28);6-9H,10-17H2,1-5H3;3-6,15H,7-14H2,1-2H3,(H2,22,23,24);3-6,17H,7-14H2,1-2H3;2-5,14H,6-11H2,1H3;1-2H,5H2,(H,7,8).

What are the key properties of N'-[2-amino-6-[2-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]ethyl-methylamino]pyrimidin-4-yl]-1,3-oxazole-2-carbohydrazide;tert-butyl N-[2-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]ethyl]-N-methylcarbamate;6-chloro-4-N-[2-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]ethyl]-4-N-methylpyrimidine-2,4-diamine;1-[4-(2-methoxyethoxy)phenyl]piperazine;7-N-[2-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]ethyl]-7-N-methyl-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine;2-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]-N-methylethanamine;1,3-oxazole-2-carbohydrazide?

N'-[2-amino-6-[2-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]ethyl-methylamino]pyrimidin-4-yl]-1,3-oxazole-2-carbohydrazide;tert-butyl N-[2-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]ethyl]-N-methylcarbamate;6-chloro-4-N-[2-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]ethyl]-4-N-methylpyrimidine-2,4-diamine;1-[4-(2-methoxyethoxy)phenyl]piperazine;7-N-[2-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]ethyl]-7-N-methyl-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine;2-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]-N-methylethanamine;1,3-oxazole-2-carbohydrazide has a molecular weight of 2476.46 g/mol, XLogP of 8.88, 53 rotatable bonds, 9 hydrogen bond donors, and 51 hydrogen bond acceptors.

Where does this data come from?

All data for N'-[2-amino-6-[2-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]ethyl-methylamino]pyrimidin-4-yl]-1,3-oxazole-2-carbohydrazide;tert-butyl N-[2-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]ethyl]-N-methylcarbamate;6-chloro-4-N-[2-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]ethyl]-4-N-methylpyrimidine-2,4-diamine;1-[4-(2-methoxyethoxy)phenyl]piperazine;7-N-[2-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]ethyl]-7-N-methyl-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine;2-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]-N-methylethanamine;1,3-oxazole-2-carbohydrazide is sourced from PubChem (CID 167585601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).