4-(1H-indol-3-yl)-1-[2-[4-(2-methoxyethyl)piperazin-1-yl]-1,3-oxazol-5-yl]-3-methylbutan-1-one;4-(1H-indol-3-yl)-3-methyl-1-[2-[4-[2-(trifluoromethoxy)ethyl]piperazin-1-yl]-1,3-oxazol-5-yl]butan-1-one;4-(1H-indol-3-yl)-3-methyl-1-[5-[4-[2-(trifluoromethoxy)ethyl]piperazin-1-yl]-1,3,4-thiadiazol-2-yl]butan-1-one;4-(1H-indol-3-yl)-3-methyl-1-[3-[4-[2-(trifluoromethoxy)ethyl]piperazin-1-yl]-1H-1,2,4-triazol-5-yl]butan-1-one

C90H110F9N19O10S — CID 159639577

About 4-(1H-indol-3-yl)-1-[2-[4-(2-methoxyethyl)piperazin-1-yl]-1,3-oxazol-5-yl]-3-methylbutan-1-one;4-(1H-indol-3-yl)-3-methyl-1-[2-[4-[2-(trifluoromethoxy)ethyl]piperazin-1-yl]-1,3-oxazol-5-yl]butan-1-one;4-(1H-indol-3-yl)-3-methyl-1-[5-[4-[2-(trifluoromethoxy)ethyl]piperazin-1-yl]-1,3,4-thiadiazol-2-yl]butan-1-one;4-(1H-indol-3-yl)-3-methyl-1-[3-[4-[2-(trifluoromethoxy)ethyl]piperazin-1-yl]-1H-1,2,4-triazol-5-yl]butan-1-one

4-(1H-indol-3-yl)-1-[2-[4-(2-methoxyethyl)piperazin-1-yl]-1,3-oxazol-5-yl]-3-methylbutan-1-one;4-(1H-indol-3-yl)-3-methyl-1-[2-[4-[2-(trifluoromethoxy)ethyl]piperazin-1-yl]-1,3-oxazol-5-yl]butan-1-one;4-(1H-indol-3-yl)-3-methyl-1-[5-[4-[2-(trifluoromethoxy)ethyl]piperazin-1-yl]-1,3,4-thiadiazol-2-yl]butan-1-one;4-(1H-indol-3-yl)-3-methyl-1-[3-[4-[2-(trifluoromethoxy)ethyl]piperazin-1-yl]-1H-1,2,4-triazol-5-yl]butan-1-one (PubChem CID 159639577) has the molecular formula C90H110F9N19O10S and a molecular weight of 1821.04 g/mol. Its IUPAC name is 4-(1H-indol-3-yl)-1-[2-[4-(2-methoxyethyl)piperazin-1-yl]-1,3-oxazol-5-yl]-3-methylbutan-1-one;4-(1H-indol-3-yl)-3-methyl-1-[2-[4-[2-(trifluoromethoxy)ethyl]piperazin-1-yl]-1,3-oxazol-5-yl]butan-1-one;4-(1H-indol-3-yl)-3-methyl-1-[5-[4-[2-(trifluoromethoxy)ethyl]piperazin-1-yl]-1,3,4-thiadiazol-2-yl]butan-1-one;4-(1H-indol-3-yl)-3-methyl-1-[3-[4-[2-(trifluoromethoxy)ethyl]piperazin-1-yl]-1H-1,2,4-triazol-5-yl]butan-1-one.

Molecular Properties

• Compound Name: 4-(1H-indol-3-yl)-1-[2-[4-(2-methoxyethyl)piperazin-1-yl]-1,3-oxazol-5-yl]-3-methylbutan-1-one;4-(1H-indol-3-yl)-3-methyl-1-[2-[4-[2-(trifluoromethoxy)ethyl]piperazin-1-yl]-1,3-oxazol-5-yl]butan-1-one;4-(1H-indol-3-yl)-3-methyl-1-[5-[4-[2-(trifluoromethoxy)ethyl]piperazin-1-yl]-1,3,4-thiadiazol-2-yl]butan-1-one;4-(1H-indol-3-yl)-3-methyl-1-[3-[4-[2-(trifluoromethoxy)ethyl]piperazin-1-yl]-1H-1,2,4-triazol-5-yl]butan-1-one
• PubChem CID: 159639577
• Molecular Formula: C90H110F9N19O10S
• Molecular Weight: 1821.04 g/mol
• Exact Mass: 1819.83
• IUPAC Name: 4-(1H-indol-3-yl)-1-[2-[4-(2-methoxyethyl)piperazin-1-yl]-1,3-oxazol-5-yl]-3-methylbutan-1-one;4-(1H-indol-3-yl)-3-methyl-1-[2-[4-[2-(trifluoromethoxy)ethyl]piperazin-1-yl]-1,3-oxazol-5-yl]butan-1-one;4-(1H-indol-3-yl)-3-methyl-1-[5-[4-[2-(trifluoromethoxy)ethyl]piperazin-1-yl]-1,3,4-thiadiazol-2-yl]butan-1-one;4-(1H-indol-3-yl)-3-methyl-1-[3-[4-[2-(trifluoromethoxy)ethyl]piperazin-1-yl]-1H-1,2,4-triazol-5-yl]butan-1-one
• SMILES: CC(CC(=O)c1cnc(N2CCN(CCOC(F)(F)F)CC2)o1)Cc1c[nH]c2ccccc12.CC(CC(=O)c1nc(N2CCN(CCOC(F)(F)F)CC2)n[nH]1)Cc1c[nH]c2ccccc12.CC(CC(=O)c1nnc(N2CCN(CCOC(F)(F)F)CC2)s1)Cc1c[nH]c2ccccc12.COCCN1CCN(c2ncc(C(=O)CC(C)Cc3c[nH]c4ccccc34)o2)CC1
• InChI: InChI=1S/C23H27F3N4O3.C23H30N4O3.C22H27F3N6O2.C22H26F3N5O2S/c1-16(12-17-14-27-19-5-3-2-4-18(17)19)13-20(31)21-15-28-22(33-21)30-8-6-29(7-9-30)10-11-32-23(24,25)26;1-17(13-18-15-24-20-6-4-3-5-19(18)20)14-21(28)22-16-25-23(30-22)27-9-7-26(8-10-27)11-12-29-2;1-15(12-16-14-26-18-5-3-2-4-17(16)18)13-19(32)20-27-21(29-28-20)31-8-6-30(7-9-31)10-11-33-22(23,24)25;1-15(12-16-14-26-18-5-3-2-4-17(16)18)13-19(31)20-27-28-21(33-20)30-8-6-29(7-9-30)10-11-32-22(23,24)25/h2-5,14-16,27H,6-13H2,1H3;3-6,15-17,24H,7-14H2,1-2H3;2-5,14-15,26H,6-13H2,1H3,(H,27,28,29);2-5,14-15,26H,6-13H2,1H3
• InChIKey: MQEHUQDUQKZTDK-UHFFFAOYSA-N
• XLogP: 15.17
• TPSA: 313.69 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 25
• Rotatable Bonds: 36
• Heavy Atoms: 129
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1821.04
LogP ≤ 5	15.17
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of 4-(1H-indol-3-yl)-1-[2-[4-(2-methoxyethyl)piperazin-1-yl]-1,3-oxazol-5-yl]-3-methylbutan-1-one;4-(1H-indol-3-yl)-3-methyl-1-[2-[4-[2-(trifluoromethoxy)ethyl]piperazin-1-yl]-1,3-oxazol-5-yl]butan-1-one;4-(1H-indol-3-yl)-3-methyl-1-[5-[4-[2-(trifluoromethoxy)ethyl]piperazin-1-yl]-1,3,4-thiadiazol-2-yl]butan-1-one;4-(1H-indol-3-yl)-3-methyl-1-[3-[4-[2-(trifluoromethoxy)ethyl]piperazin-1-yl]-1H-1,2,4-triazol-5-yl]butan-1-one?

The IUPAC name of 4-(1H-indol-3-yl)-1-[2-[4-(2-methoxyethyl)piperazin-1-yl]-1,3-oxazol-5-yl]-3-methylbutan-1-one;4-(1H-indol-3-yl)-3-methyl-1-[2-[4-[2-(trifluoromethoxy)ethyl]piperazin-1-yl]-1,3-oxazol-5-yl]butan-1-one;4-(1H-indol-3-yl)-3-methyl-1-[5-[4-[2-(trifluoromethoxy)ethyl]piperazin-1-yl]-1,3,4-thiadiazol-2-yl]butan-1-one;4-(1H-indol-3-yl)-3-methyl-1-[3-[4-[2-(trifluoromethoxy)ethyl]piperazin-1-yl]-1H-1,2,4-triazol-5-yl]butan-1-one (CID 159639577) is 4-(1H-indol-3-yl)-1-[2-[4-(2-methoxyethyl)piperazin-1-yl]-1,3-oxazol-5-yl]-3-methylbutan-1-one;4-(1H-indol-3-yl)-3-methyl-1-[2-[4-[2-(trifluoromethoxy)ethyl]piperazin-1-yl]-1,3-oxazol-5-yl]butan-1-one;4-(1H-indol-3-yl)-3-methyl-1-[5-[4-[2-(trifluoromethoxy)ethyl]piperazin-1-yl]-1,3,4-thiadiazol-2-yl]butan-1-one;4-(1H-indol-3-yl)-3-methyl-1-[3-[4-[2-(trifluoromethoxy)ethyl]piperazin-1-yl]-1H-1,2,4-triazol-5-yl]butan-1-one.

What is the SMILES notation for 4-(1H-indol-3-yl)-1-[2-[4-(2-methoxyethyl)piperazin-1-yl]-1,3-oxazol-5-yl]-3-methylbutan-1-one;4-(1H-indol-3-yl)-3-methyl-1-[2-[4-[2-(trifluoromethoxy)ethyl]piperazin-1-yl]-1,3-oxazol-5-yl]butan-1-one;4-(1H-indol-3-yl)-3-methyl-1-[5-[4-[2-(trifluoromethoxy)ethyl]piperazin-1-yl]-1,3,4-thiadiazol-2-yl]butan-1-one;4-(1H-indol-3-yl)-3-methyl-1-[3-[4-[2-(trifluoromethoxy)ethyl]piperazin-1-yl]-1H-1,2,4-triazol-5-yl]butan-1-one?

The canonical SMILES for 4-(1H-indol-3-yl)-1-[2-[4-(2-methoxyethyl)piperazin-1-yl]-1,3-oxazol-5-yl]-3-methylbutan-1-one;4-(1H-indol-3-yl)-3-methyl-1-[2-[4-[2-(trifluoromethoxy)ethyl]piperazin-1-yl]-1,3-oxazol-5-yl]butan-1-one;4-(1H-indol-3-yl)-3-methyl-1-[5-[4-[2-(trifluoromethoxy)ethyl]piperazin-1-yl]-1,3,4-thiadiazol-2-yl]butan-1-one;4-(1H-indol-3-yl)-3-methyl-1-[3-[4-[2-(trifluoromethoxy)ethyl]piperazin-1-yl]-1H-1,2,4-triazol-5-yl]butan-1-one is CC(CC(=O)c1cnc(N2CCN(CCOC(F)(F)F)CC2)o1)Cc1c[nH]c2ccccc12.CC(CC(=O)c1nc(N2CCN(CCOC(F)(F)F)CC2)n[nH]1)Cc1c[nH]c2ccccc12.CC(CC(=O)c1nnc(N2CCN(CCOC(F)(F)F)CC2)s1)Cc1c[nH]c2ccccc12.COCCN1CCN(c2ncc(C(=O)CC(C)Cc3c[nH]c4ccccc34)o2)CC1.

What is the InChIKey of 4-(1H-indol-3-yl)-1-[2-[4-(2-methoxyethyl)piperazin-1-yl]-1,3-oxazol-5-yl]-3-methylbutan-1-one;4-(1H-indol-3-yl)-3-methyl-1-[2-[4-[2-(trifluoromethoxy)ethyl]piperazin-1-yl]-1,3-oxazol-5-yl]butan-1-one;4-(1H-indol-3-yl)-3-methyl-1-[5-[4-[2-(trifluoromethoxy)ethyl]piperazin-1-yl]-1,3,4-thiadiazol-2-yl]butan-1-one;4-(1H-indol-3-yl)-3-methyl-1-[3-[4-[2-(trifluoromethoxy)ethyl]piperazin-1-yl]-1H-1,2,4-triazol-5-yl]butan-1-one?

The InChIKey is MQEHUQDUQKZTDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27F3N4O3.C23H30N4O3.C22H27F3N6O2.C22H26F3N5O2S/c1-16(12-17-14-27-19-5-3-2-4-18(17)19)13-20(31)21-15-28-22(33-21)30-8-6-29(7-9-30)10-11-32-23(24,25)26;1-17(13-18-15-24-20-6-4-3-5-19(18)20)14-21(28)22-16-25-23(30-22)27-9-7-26(8-10-27)11-12-29-2;1-15(12-16-14-26-18-5-3-2-4-17(16)18)13-19(32)20-27-21(29-28-20)31-8-6-30(7-9-31)10-11-33-22(23,24)25;1-15(12-16-14-26-18-5-3-2-4-17(16)18)13-19(31)20-27-28-21(33-20)30-8-6-29(7-9-30)10-11-32-22(23,24)25/h2-5,14-16,27H,6-13H2,1H3;3-6,15-17,24H,7-14H2,1-2H3;2-5,14-15,26H,6-13H2,1H3,(H,27,28,29);2-5,14-15,26H,6-13H2,1H3.

What are the key properties of 4-(1H-indol-3-yl)-1-[2-[4-(2-methoxyethyl)piperazin-1-yl]-1,3-oxazol-5-yl]-3-methylbutan-1-one;4-(1H-indol-3-yl)-3-methyl-1-[2-[4-[2-(trifluoromethoxy)ethyl]piperazin-1-yl]-1,3-oxazol-5-yl]butan-1-one;4-(1H-indol-3-yl)-3-methyl-1-[5-[4-[2-(trifluoromethoxy)ethyl]piperazin-1-yl]-1,3,4-thiadiazol-2-yl]butan-1-one;4-(1H-indol-3-yl)-3-methyl-1-[3-[4-[2-(trifluoromethoxy)ethyl]piperazin-1-yl]-1H-1,2,4-triazol-5-yl]butan-1-one?

4-(1H-indol-3-yl)-1-[2-[4-(2-methoxyethyl)piperazin-1-yl]-1,3-oxazol-5-yl]-3-methylbutan-1-one;4-(1H-indol-3-yl)-3-methyl-1-[2-[4-[2-(trifluoromethoxy)ethyl]piperazin-1-yl]-1,3-oxazol-5-yl]butan-1-one;4-(1H-indol-3-yl)-3-methyl-1-[5-[4-[2-(trifluoromethoxy)ethyl]piperazin-1-yl]-1,3,4-thiadiazol-2-yl]butan-1-one;4-(1H-indol-3-yl)-3-methyl-1-[3-[4-[2-(trifluoromethoxy)ethyl]piperazin-1-yl]-1H-1,2,4-triazol-5-yl]butan-1-one has a molecular weight of 1821.04 g/mol, XLogP of 15.17, 36 rotatable bonds, 5 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(1H-indol-3-yl)-1-[2-[4-(2-methoxyethyl)piperazin-1-yl]-1,3-oxazol-5-yl]-3-methylbutan-1-one;4-(1H-indol-3-yl)-3-methyl-1-[2-[4-[2-(trifluoromethoxy)ethyl]piperazin-1-yl]-1,3-oxazol-5-yl]butan-1-one;4-(1H-indol-3-yl)-3-methyl-1-[5-[4-[2-(trifluoromethoxy)ethyl]piperazin-1-yl]-1,3,4-thiadiazol-2-yl]butan-1-one;4-(1H-indol-3-yl)-3-methyl-1-[3-[4-[2-(trifluoromethoxy)ethyl]piperazin-1-yl]-1H-1,2,4-triazol-5-yl]butan-1-one is sourced from PubChem (CID 159639577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).