2-(3,4-dimethylpiperazin-1-yl)-N-[1-(1H-indol-3-yl)pentan-2-yl]-1,3-oxazole-5-carboxamide;1-[5-(3,4-dimethylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-3-(1H-indol-3-ylmethyl)hexan-1-one;1-[3-(3,4-dimethylpiperazin-1-yl)-1H-1,2,4-triazol-5-yl]-3-(1H-indol-3-ylmethyl)hexan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-[4-[2-(trifluoromethoxy)ethyl]piperazin-1-yl]-1,3-oxazol-5-yl]hexan-1-one

C94H125F3N20O7S — CID 157050168

About 2-(3,4-dimethylpiperazin-1-yl)-N-[1-(1H-indol-3-yl)pentan-2-yl]-1,3-oxazole-5-carboxamide;1-[5-(3,4-dimethylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-3-(1H-indol-3-ylmethyl)hexan-1-one;1-[3-(3,4-dimethylpiperazin-1-yl)-1H-1,2,4-triazol-5-yl]-3-(1H-indol-3-ylmethyl)hexan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-[4-[2-(trifluoromethoxy)ethyl]piperazin-1-yl]-1,3-oxazol-5-yl]hexan-1-one

2-(3,4-dimethylpiperazin-1-yl)-N-[1-(1H-indol-3-yl)pentan-2-yl]-1,3-oxazole-5-carboxamide;1-[5-(3,4-dimethylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-3-(1H-indol-3-ylmethyl)hexan-1-one;1-[3-(3,4-dimethylpiperazin-1-yl)-1H-1,2,4-triazol-5-yl]-3-(1H-indol-3-ylmethyl)hexan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-[4-[2-(trifluoromethoxy)ethyl]piperazin-1-yl]-1,3-oxazol-5-yl]hexan-1-one (PubChem CID 157050168) has the molecular formula C94H125F3N20O7S and a molecular weight of 1736.23 g/mol. Its IUPAC name is 2-(3,4-dimethylpiperazin-1-yl)-N-[1-(1H-indol-3-yl)pentan-2-yl]-1,3-oxazole-5-carboxamide;1-[5-(3,4-dimethylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-3-(1H-indol-3-ylmethyl)hexan-1-one;1-[3-(3,4-dimethylpiperazin-1-yl)-1H-1,2,4-triazol-5-yl]-3-(1H-indol-3-ylmethyl)hexan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-[4-[2-(trifluoromethoxy)ethyl]piperazin-1-yl]-1,3-oxazol-5-yl]hexan-1-one.

Molecular Properties

• Compound Name: 2-(3,4-dimethylpiperazin-1-yl)-N-[1-(1H-indol-3-yl)pentan-2-yl]-1,3-oxazole-5-carboxamide;1-[5-(3,4-dimethylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-3-(1H-indol-3-ylmethyl)hexan-1-one;1-[3-(3,4-dimethylpiperazin-1-yl)-1H-1,2,4-triazol-5-yl]-3-(1H-indol-3-ylmethyl)hexan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-[4-[2-(trifluoromethoxy)ethyl]piperazin-1-yl]-1,3-oxazol-5-yl]hexan-1-one
• PubChem CID: 157050168
• Molecular Formula: C94H125F3N20O7S
• Molecular Weight: 1736.23 g/mol
• Exact Mass: 1734.97
• IUPAC Name: 2-(3,4-dimethylpiperazin-1-yl)-N-[1-(1H-indol-3-yl)pentan-2-yl]-1,3-oxazole-5-carboxamide;1-[5-(3,4-dimethylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-3-(1H-indol-3-ylmethyl)hexan-1-one;1-[3-(3,4-dimethylpiperazin-1-yl)-1H-1,2,4-triazol-5-yl]-3-(1H-indol-3-ylmethyl)hexan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-[4-[2-(trifluoromethoxy)ethyl]piperazin-1-yl]-1,3-oxazol-5-yl]hexan-1-one
• SMILES: CCCC(CC(=O)c1cnc(N2CCN(CCOC(F)(F)F)CC2)o1)Cc1c[nH]c2ccccc12.CCCC(CC(=O)c1nc(N2CCN(C)C(C)C2)n[nH]1)Cc1c[nH]c2ccccc12.CCCC(CC(=O)c1nnc(N2CCN(C)C(C)C2)s1)Cc1c[nH]c2ccccc12.CCCC(Cc1c[nH]c2ccccc12)NC(=O)c1cnc(N2CCN(C)C(C)C2)o1
• InChI: InChI=1S/C25H31F3N4O3.C23H32N6O.C23H31N5O2.C23H31N5OS/c1-2-5-18(14-19-16-29-21-7-4-3-6-20(19)21)15-22(33)23-17-30-24(35-23)32-10-8-31(9-11-32)12-13-34-25(26,27)28;1-4-7-17(12-18-14-24-20-9-6-5-8-19(18)20)13-21(30)22-25-23(27-26-22)29-11-10-28(3)16(2)15-29;1-4-7-18(12-17-13-24-20-9-6-5-8-19(17)20)26-22(29)21-14-25-23(30-21)28-11-10-27(3)16(2)15-28;1-4-7-17(12-18-14-24-20-9-6-5-8-19(18)20)13-21(29)22-25-26-23(30-22)28-11-10-27(3)16(2)15-28/h3-4,6-7,16-18,29H,2,5,8-15H2,1H3;5-6,8-9,14,16-17,24H,4,7,10-13,15H2,1-3H3,(H,25,26,27);5-6,8-9,13-14,16,18,24H,4,7,10-12,15H2,1-3H3,(H,26,29);5-6,8-9,14,16-17,24H,4,7,10-13,15H2,1-3H3
• InChIKey: AACKEFLROZSNNQ-UHFFFAOYSA-N
• XLogP: 16.53
• TPSA: 298.03 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 22
• Rotatable Bonds: 34
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1736.23
LogP ≤ 5	16.53
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylpiperazin-1-yl)-N-[1-(1H-indol-3-yl)pentan-2-yl]-1,3-oxazole-5-carboxamide;1-[5-(3,4-dimethylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-3-(1H-indol-3-ylmethyl)hexan-1-one;1-[3-(3,4-dimethylpiperazin-1-yl)-1H-1,2,4-triazol-5-yl]-3-(1H-indol-3-ylmethyl)hexan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-[4-[2-(trifluoromethoxy)ethyl]piperazin-1-yl]-1,3-oxazol-5-yl]hexan-1-one?

The IUPAC name of 2-(3,4-dimethylpiperazin-1-yl)-N-[1-(1H-indol-3-yl)pentan-2-yl]-1,3-oxazole-5-carboxamide;1-[5-(3,4-dimethylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-3-(1H-indol-3-ylmethyl)hexan-1-one;1-[3-(3,4-dimethylpiperazin-1-yl)-1H-1,2,4-triazol-5-yl]-3-(1H-indol-3-ylmethyl)hexan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-[4-[2-(trifluoromethoxy)ethyl]piperazin-1-yl]-1,3-oxazol-5-yl]hexan-1-one (CID 157050168) is 2-(3,4-dimethylpiperazin-1-yl)-N-[1-(1H-indol-3-yl)pentan-2-yl]-1,3-oxazole-5-carboxamide;1-[5-(3,4-dimethylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-3-(1H-indol-3-ylmethyl)hexan-1-one;1-[3-(3,4-dimethylpiperazin-1-yl)-1H-1,2,4-triazol-5-yl]-3-(1H-indol-3-ylmethyl)hexan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-[4-[2-(trifluoromethoxy)ethyl]piperazin-1-yl]-1,3-oxazol-5-yl]hexan-1-one.

What is the SMILES notation for 2-(3,4-dimethylpiperazin-1-yl)-N-[1-(1H-indol-3-yl)pentan-2-yl]-1,3-oxazole-5-carboxamide;1-[5-(3,4-dimethylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-3-(1H-indol-3-ylmethyl)hexan-1-one;1-[3-(3,4-dimethylpiperazin-1-yl)-1H-1,2,4-triazol-5-yl]-3-(1H-indol-3-ylmethyl)hexan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-[4-[2-(trifluoromethoxy)ethyl]piperazin-1-yl]-1,3-oxazol-5-yl]hexan-1-one?

The canonical SMILES for 2-(3,4-dimethylpiperazin-1-yl)-N-[1-(1H-indol-3-yl)pentan-2-yl]-1,3-oxazole-5-carboxamide;1-[5-(3,4-dimethylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-3-(1H-indol-3-ylmethyl)hexan-1-one;1-[3-(3,4-dimethylpiperazin-1-yl)-1H-1,2,4-triazol-5-yl]-3-(1H-indol-3-ylmethyl)hexan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-[4-[2-(trifluoromethoxy)ethyl]piperazin-1-yl]-1,3-oxazol-5-yl]hexan-1-one is CCCC(CC(=O)c1cnc(N2CCN(CCOC(F)(F)F)CC2)o1)Cc1c[nH]c2ccccc12.CCCC(CC(=O)c1nc(N2CCN(C)C(C)C2)n[nH]1)Cc1c[nH]c2ccccc12.CCCC(CC(=O)c1nnc(N2CCN(C)C(C)C2)s1)Cc1c[nH]c2ccccc12.CCCC(Cc1c[nH]c2ccccc12)NC(=O)c1cnc(N2CCN(C)C(C)C2)o1.

What is the InChIKey of 2-(3,4-dimethylpiperazin-1-yl)-N-[1-(1H-indol-3-yl)pentan-2-yl]-1,3-oxazole-5-carboxamide;1-[5-(3,4-dimethylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-3-(1H-indol-3-ylmethyl)hexan-1-one;1-[3-(3,4-dimethylpiperazin-1-yl)-1H-1,2,4-triazol-5-yl]-3-(1H-indol-3-ylmethyl)hexan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-[4-[2-(trifluoromethoxy)ethyl]piperazin-1-yl]-1,3-oxazol-5-yl]hexan-1-one?

The InChIKey is AACKEFLROZSNNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31F3N4O3.C23H32N6O.C23H31N5O2.C23H31N5OS/c1-2-5-18(14-19-16-29-21-7-4-3-6-20(19)21)15-22(33)23-17-30-24(35-23)32-10-8-31(9-11-32)12-13-34-25(26,27)28;1-4-7-17(12-18-14-24-20-9-6-5-8-19(18)20)13-21(30)22-25-23(27-26-22)29-11-10-28(3)16(2)15-29;1-4-7-18(12-17-13-24-20-9-6-5-8-19(17)20)26-22(29)21-14-25-23(30-21)28-11-10-27(3)16(2)15-28;1-4-7-17(12-18-14-24-20-9-6-5-8-19(18)20)13-21(29)22-25-26-23(30-22)28-11-10-27(3)16(2)15-28/h3-4,6-7,16-18,29H,2,5,8-15H2,1H3;5-6,8-9,14,16-17,24H,4,7,10-13,15H2,1-3H3,(H,25,26,27);5-6,8-9,13-14,16,18,24H,4,7,10-12,15H2,1-3H3,(H,26,29);5-6,8-9,14,16-17,24H,4,7,10-13,15H2,1-3H3.

What are the key properties of 2-(3,4-dimethylpiperazin-1-yl)-N-[1-(1H-indol-3-yl)pentan-2-yl]-1,3-oxazole-5-carboxamide;1-[5-(3,4-dimethylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-3-(1H-indol-3-ylmethyl)hexan-1-one;1-[3-(3,4-dimethylpiperazin-1-yl)-1H-1,2,4-triazol-5-yl]-3-(1H-indol-3-ylmethyl)hexan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-[4-[2-(trifluoromethoxy)ethyl]piperazin-1-yl]-1,3-oxazol-5-yl]hexan-1-one?

2-(3,4-dimethylpiperazin-1-yl)-N-[1-(1H-indol-3-yl)pentan-2-yl]-1,3-oxazole-5-carboxamide;1-[5-(3,4-dimethylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-3-(1H-indol-3-ylmethyl)hexan-1-one;1-[3-(3,4-dimethylpiperazin-1-yl)-1H-1,2,4-triazol-5-yl]-3-(1H-indol-3-ylmethyl)hexan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-[4-[2-(trifluoromethoxy)ethyl]piperazin-1-yl]-1,3-oxazol-5-yl]hexan-1-one has a molecular weight of 1736.23 g/mol, XLogP of 16.53, 34 rotatable bonds, 6 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3,4-dimethylpiperazin-1-yl)-N-[1-(1H-indol-3-yl)pentan-2-yl]-1,3-oxazole-5-carboxamide;1-[5-(3,4-dimethylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-3-(1H-indol-3-ylmethyl)hexan-1-one;1-[3-(3,4-dimethylpiperazin-1-yl)-1H-1,2,4-triazol-5-yl]-3-(1H-indol-3-ylmethyl)hexan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-[4-[2-(trifluoromethoxy)ethyl]piperazin-1-yl]-1,3-oxazol-5-yl]hexan-1-one is sourced from PubChem (CID 157050168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).