1-[2-(4-tert-butylpiperazin-1-yl)-1,3-oxazol-5-yl]-3-(1H-indol-3-ylmethyl)hexan-1-one;1-[5-(4-tert-butylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-3-(1H-indol-3-ylmethyl)hexan-1-one;1-[3-(4-tert-butylpiperazin-1-yl)-1H-1,2,4-triazol-5-yl]-3-(1H-indol-3-ylmethyl)hexan-1-one;3-(1H-indol-3-ylmethyl)-1-[5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3,4-thiadiazol-2-yl]hexan-1-one

C99H135F3N20O5S2 — CID 158319377

IUPAC1-[2-(4-tert-butylpiperazin-1-yl)-1,3-oxazol-5-yl]-3-(1H-indol-3-ylmethyl)hexan-1-one;1-[5-(4-tert-butylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-3-(1H-indol-3-ylmethyl)hexan-1-one;1-[3-(4-tert-butylpiperazin-1-yl)-1H-1,2,4-triazol-5-yl]-3-(1H-indol-3-ylmethyl)hexan-1-one;3-(1H-indol-3-ylmethyl)-1-[5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3,4-thiadiazol-2-yl]hexan-1-one
SMILESCCCC(CC(=O)c1cnc(N2CCN(C(C)(C)C)CC2)o1)Cc1c[nH]c2ccccc12.CCCC(CC(=O)c1nc(N2CCN(C(C)(C)C)CC2)n[nH]1)Cc1c[nH]c2ccccc12.CCCC(CC(=O)c1nnc(N2CCN(C(C)(C)C)CC2)s1)Cc1c[nH]c2ccccc12.CCCC(CC(=O)c1nnc(N2CCN(CC(F)(F)F)CC2)s1)Cc1c[nH]c2ccccc12
InChIInChI=1S/C26H36N4O2.C25H36N6O.C25H35N5OS.C23H28F3N5OS/c1-5-8-19(15-20-17-27-22-10-7-6-9-21(20)22)16-23(31)24-18-28-25(32-24)29-11-13-30(14-12-29)26(2,3)4;1-5-8-18(15-19-17-26-21-10-7-6-9-20(19)21)16-22(32)23-27-24(29-28-23)30-11-13-31(14-12-30)25(2,3)4;1-5-8-18(15-19-17-26-21-10-7-6-9-20(19)21)16-22(31)23-27-28-24(32-23)29-11-13-30(14-12-29)25(2,3)4;1-2-5-16(12-17-14-27-19-7-4-3-6-18(17)19)13-20(32)21-28-29-22(33-21)31-10-8-30(9-11-31)15-23(24,25)26/h6-7,9-10,17-19,27H,5,8,11-16H2,1-4H3;6-7,9-10,17-18,26H,5,8,11-16H2,1-4H3,(H,27,28,29);6-7,9-10,17-18,26H,5,8,11-16H2,1-4H3;3-4,6-7,14,16,27H,2,5,8-13,15H2,1H3
InChIKeyGOQPNSSBOPRIHR-UHFFFAOYSA-N
MW1806.43 g/mol
LogP19.85
Rot. Bonds33

About 1-[2-(4-tert-butylpiperazin-1-yl)-1,3-oxazol-5-yl]-3-(1H-indol-3-ylmethyl)hexan-1-one;1-[5-(4-tert-butylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-3-(1H-indol-3-ylmethyl)hexan-1-one;1-[3-(4-tert-butylpiperazin-1-yl)-1H-1,2,4-triazol-5-yl]-3-(1H-indol-3-ylmethyl)hexan-1-one;3-(1H-indol-3-ylmethyl)-1-[5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3,4-thiadiazol-2-yl]hexan-1-one

1-[2-(4-tert-butylpiperazin-1-yl)-1,3-oxazol-5-yl]-3-(1H-indol-3-ylmethyl)hexan-1-one;1-[5-(4-tert-butylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-3-(1H-indol-3-ylmethyl)hexan-1-one;1-[3-(4-tert-butylpiperazin-1-yl)-1H-1,2,4-triazol-5-yl]-3-(1H-indol-3-ylmethyl)hexan-1-one;3-(1H-indol-3-ylmethyl)-1-[5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3,4-thiadiazol-2-yl]hexan-1-one (PubChem CID 158319377) has the molecular formula C99H135F3N20O5S2 and a molecular weight of 1806.43 g/mol. Its IUPAC name is 1-[2-(4-tert-butylpiperazin-1-yl)-1,3-oxazol-5-yl]-3-(1H-indol-3-ylmethyl)hexan-1-one;1-[5-(4-tert-butylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-3-(1H-indol-3-ylmethyl)hexan-1-one;1-[3-(4-tert-butylpiperazin-1-yl)-1H-1,2,4-triazol-5-yl]-3-(1H-indol-3-ylmethyl)hexan-1-one;3-(1H-indol-3-ylmethyl)-1-[5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3,4-thiadiazol-2-yl]hexan-1-one.

Molecular Properties

Compound Name1-[2-(4-tert-butylpiperazin-1-yl)-1,3-oxazol-5-yl]-3-(1H-indol-3-ylmethyl)hexan-1-one;1-[5-(4-tert-butylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-3-(1H-indol-3-ylmethyl)hexan-1-one;1-[3-(4-tert-butylpiperazin-1-yl)-1H-1,2,4-triazol-5-yl]-3-(1H-indol-3-ylmethyl)hexan-1-one;3-(1H-indol-3-ylmethyl)-1-[5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3,4-thiadiazol-2-yl]hexan-1-one
PubChem CID158319377
Molecular FormulaC99H135F3N20O5S2
Molecular Weight1806.43 g/mol
Exact Mass1805.03
IUPAC Name1-[2-(4-tert-butylpiperazin-1-yl)-1,3-oxazol-5-yl]-3-(1H-indol-3-ylmethyl)hexan-1-one;1-[5-(4-tert-butylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-3-(1H-indol-3-ylmethyl)hexan-1-one;1-[3-(4-tert-butylpiperazin-1-yl)-1H-1,2,4-triazol-5-yl]-3-(1H-indol-3-ylmethyl)hexan-1-one;3-(1H-indol-3-ylmethyl)-1-[5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3,4-thiadiazol-2-yl]hexan-1-one
SMILESCCCC(CC(=O)c1cnc(N2CCN(C(C)(C)C)CC2)o1)Cc1c[nH]c2ccccc12.CCCC(CC(=O)c1nc(N2CCN(C(C)(C)C)CC2)n[nH]1)Cc1c[nH]c2ccccc12.CCCC(CC(=O)c1nnc(N2CCN(C(C)(C)C)CC2)s1)Cc1c[nH]c2ccccc12.CCCC(CC(=O)c1nnc(N2CCN(CC(F)(F)F)CC2)s1)Cc1c[nH]c2ccccc12
InChIInChI=1S/C26H36N4O2.C25H36N6O.C25H35N5OS.C23H28F3N5OS/c1-5-8-19(15-20-17-27-22-10-7-6-9-21(20)22)16-23(31)24-18-28-25(32-24)29-11-13-30(14-12-29)26(2,3)4;1-5-8-18(15-19-17-26-21-10-7-6-9-20(19)21)16-22(32)23-27-24(29-28-23)30-11-13-31(14-12-30)25(2,3)4;1-5-8-18(15-19-17-26-21-10-7-6-9-20(19)21)16-22(31)23-27-28-24(32-23)29-11-13-30(14-12-29)25(2,3)4;1-2-5-16(12-17-14-27-19-7-4-3-6-18(17)19)13-20(32)21-28-29-22(33-21)31-10-8-30(9-11-31)15-23(24,25)26/h6-7,9-10,17-19,27H,5,8,11-16H2,1-4H3;6-7,9-10,17-18,26H,5,8,11-16H2,1-4H3,(H,27,28,29);6-7,9-10,17-18,26H,5,8,11-16H2,1-4H3;3-4,6-7,14,16,27H,2,5,8-13,15H2,1H3
InChIKeyGOQPNSSBOPRIHR-UHFFFAOYSA-N
XLogP19.85
TPSA276.52 Ų
H-Bond Donors5
H-Bond Acceptors22
Rotatable Bonds33
Heavy Atoms129
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001806.43
LogP ≤ 519.85
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1022

Analyze 1-[2-(4-tert-butylpiperazin-1-yl)-1,3-oxazol-5-yl]-3-(1H-indol-3-ylmethyl)hexan-1-one;1-[5-(4-tert-butylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-3-(1H-indol-3-ylmethyl)hexan-1-one;1-[3-(4-tert-butylpiperazin-1-yl)-1H-1,2,4-triazol-5-yl]-3-(1H-indol-3-ylmethyl)hexan-1-one;3-(1H-indol-3-ylmethyl)-1-[5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3,4-thiadiazol-2-yl]hexan-1-one with MolForge

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Launch Full Analysis

Related Compounds

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
4-(1H-indol-3-yl)-3-methyl-1-[2-[4-methyl-3-(trifluoromethyl)piperazin-1-yl]-1,3-oxazol-5-yl]butan-1-one;4-(1H-indol-3-yl)-3-methyl-1-[5-[4-methyl-3-(trifluoromethyl)piperazin-1-yl]-1,3,4-thiadiazol-2-yl]butan-1-one;4-(1H-indol-3-yl)-3-methyl-1-[3-[4-methyl-3-(trifluoromethyl)piperazin-1-yl]-1H-1,2,4-triazol-5-yl]butan-1-one;4-(1H-indol-3-yl)-3-methyl-1-[2-[(3R,5R)-3,4,5-trimethylpiperazin-1-yl]-1,3-oxazol-5-yl]butan-1-one
CID 157347742
4-(1H-indol-3-yl)-3-methyl-1-[5-[4-methyl-3-(trifluoromethyl)piperazin-1-yl]-1,3,4-thiadiazol-2-yl]butan-1-one;4-(1H-indol-3-yl)-3-methyl-1-[2-[(3R,5R)-3,4,5-trimethylpiperazin-1-yl]-1,3-oxazol-5-yl]butan-1-one;4-(1H-indol-3-yl)-3-methyl-1-[5-[(3R,5R)-3,4,5-trimethylpiperazin-1-yl]-1,3,4-thiadiazol-2-yl]butan-1-one;4-(1H-indol-3-yl)-3-methyl-1-[3-[(3R,5R)-3,4,5-trimethylpiperazin-1-yl]-1H-1,2,4-triazol-5-yl]butan-1-one
CID 157486701
1-[2-(3,4-dimethylpiperazin-1-yl)-1,3-oxazol-5-yl]-3-(1H-indol-3-ylmethyl)-6-methylheptan-1-one;1-[5-(3,4-dimethylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-3-(1H-indol-3-ylmethyl)-6-methylheptan-1-one;1-[3-(3,4-dimethylpiperazin-1-yl)-1H-1,2,4-triazol-5-yl]-3-(1H-indol-3-ylmethyl)-6-methylheptan-1-one;3-(1H-indol-3-ylmethyl)-6-methyl-1-[2-[4-[2-(trifluoromethoxy)ethyl]piperazin-1-yl]-1,3-oxazol-5-yl]heptan-1-one
CID 157525221
N-[1-(1H-indol-3-yl)hexan-2-yl]-5-[4-(2-methoxyethyl)piperazin-1-yl]-1,3,4-thiadiazole-2-carboxamide;N-[1-(1H-indol-3-yl)hexan-2-yl]-5-[4-[2-(trifluoromethoxy)ethyl]piperazin-1-yl]-1,3,4-thiadiazole-2-carboxamide;3-(1H-indol-3-ylmethyl)-1-[2-[4-(2-methoxyethyl)piperazin-1-yl]-1,3-oxazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[3-[4-(2-methoxyethyl)piperazin-1-yl]-1H-1,2,4-triazol-5-yl]heptan-1-one
CID 157841929
3-(3,4-dimethylpiperazin-1-yl)-N-[1-(1H-indol-3-yl)propan-2-yl]-1H-1,2,4-triazole-5-carboxamide;1-[5-(3,4-dimethylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-4-(1H-indol-3-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-[3-[4-[2-(trifluoromethoxy)ethyl]piperazin-1-yl]-1H-1,2,4-triazol-5-yl]butan-1-one
CID 158069542
1-[2-(4-tert-butylpiperazin-1-yl)-1,3-oxazol-5-yl]-4-(1H-indol-3-yl)-3-methylbutan-1-one;1-[3-(4-tert-butylpiperazin-1-yl)-1H-1,2,4-triazol-5-yl]-4-(1H-indol-3-yl)-3-methylbutan-1-one;4-(1H-indol-3-yl)-3-methyl-1-[3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1H-1,2,4-triazol-5-yl]butan-1-one;N-[1-(1H-indol-3-yl)propan-2-yl]-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3,4-thiadiazole-2-carboxamide
CID 158281361
1-[5-(4-ethylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-3-(1H-indol-3-ylmethyl)-6-methylheptan-1-one;1-[3-(4-ethylpiperazin-1-yl)-1H-1,2,4-triazol-5-yl]-3-(1H-indol-3-ylmethyl)-6-methylheptan-1-one;3-(1H-indol-3-ylmethyl)-6-methyl-1-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3-oxazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-6-methyl-1-[3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1H-1,2,4-triazol-5-yl]heptan-1-one
CID 158321825
1-[5-(4-ethylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-3-(1H-indol-3-ylmethyl)hexan-1-one;1-[3-(4-ethylpiperazin-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-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3-oxazol-5-yl]hexan-1-one;3-(1H-indol-3-ylmethyl)-1-[3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1H-1,2,4-triazol-5-yl]hexan-1-one
CID 158616965
N-[1-(1H-indol-3-yl)hexan-2-yl]-5-[4-methyl-3-(trifluoromethyl)piperazin-1-yl]-1,3,4-thiadiazole-2-carboxamide;3-(1H-indol-3-ylmethyl)-1-[2-[4-methyl-3-(trifluoromethyl)piperazin-1-yl]-1,3-oxazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[3-[4-methyl-3-(trifluoromethyl)piperazin-1-yl]-1H-1,2,4-triazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-[(3R,5R)-3,4,5-trimethylpiperazin-1-yl]-1,3-oxazol-5-yl]heptan-1-one
CID 158936640
5-(4-ethylpiperazin-1-yl)-N-[1-(1H-indol-3-yl)hexan-2-yl]-1,3,4-thiadiazole-2-carboxamide;N-[1-(1H-indol-3-yl)hexan-2-yl]-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3,4-thiadiazole-2-carboxamide;3-(1H-indol-3-ylmethyl)-1-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3-oxazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1H-1,2,4-triazol-5-yl]heptan-1-one
CID 159538877
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

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-tert-butylpiperazin-1-yl)-1,3-oxazol-5-yl]-3-(1H-indol-3-ylmethyl)hexan-1-one;1-[5-(4-tert-butylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-3-(1H-indol-3-ylmethyl)hexan-1-one;1-[3-(4-tert-butylpiperazin-1-yl)-1H-1,2,4-triazol-5-yl]-3-(1H-indol-3-ylmethyl)hexan-1-one;3-(1H-indol-3-ylmethyl)-1-[5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3,4-thiadiazol-2-yl]hexan-1-one?
The IUPAC name of 1-[2-(4-tert-butylpiperazin-1-yl)-1,3-oxazol-5-yl]-3-(1H-indol-3-ylmethyl)hexan-1-one;1-[5-(4-tert-butylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-3-(1H-indol-3-ylmethyl)hexan-1-one;1-[3-(4-tert-butylpiperazin-1-yl)-1H-1,2,4-triazol-5-yl]-3-(1H-indol-3-ylmethyl)hexan-1-one;3-(1H-indol-3-ylmethyl)-1-[5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3,4-thiadiazol-2-yl]hexan-1-one (CID 158319377) is 1-[2-(4-tert-butylpiperazin-1-yl)-1,3-oxazol-5-yl]-3-(1H-indol-3-ylmethyl)hexan-1-one;1-[5-(4-tert-butylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-3-(1H-indol-3-ylmethyl)hexan-1-one;1-[3-(4-tert-butylpiperazin-1-yl)-1H-1,2,4-triazol-5-yl]-3-(1H-indol-3-ylmethyl)hexan-1-one;3-(1H-indol-3-ylmethyl)-1-[5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3,4-thiadiazol-2-yl]hexan-1-one.
What is the SMILES notation for 1-[2-(4-tert-butylpiperazin-1-yl)-1,3-oxazol-5-yl]-3-(1H-indol-3-ylmethyl)hexan-1-one;1-[5-(4-tert-butylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-3-(1H-indol-3-ylmethyl)hexan-1-one;1-[3-(4-tert-butylpiperazin-1-yl)-1H-1,2,4-triazol-5-yl]-3-(1H-indol-3-ylmethyl)hexan-1-one;3-(1H-indol-3-ylmethyl)-1-[5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3,4-thiadiazol-2-yl]hexan-1-one?
The canonical SMILES for 1-[2-(4-tert-butylpiperazin-1-yl)-1,3-oxazol-5-yl]-3-(1H-indol-3-ylmethyl)hexan-1-one;1-[5-(4-tert-butylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-3-(1H-indol-3-ylmethyl)hexan-1-one;1-[3-(4-tert-butylpiperazin-1-yl)-1H-1,2,4-triazol-5-yl]-3-(1H-indol-3-ylmethyl)hexan-1-one;3-(1H-indol-3-ylmethyl)-1-[5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3,4-thiadiazol-2-yl]hexan-1-one is CCCC(CC(=O)c1cnc(N2CCN(C(C)(C)C)CC2)o1)Cc1c[nH]c2ccccc12.CCCC(CC(=O)c1nc(N2CCN(C(C)(C)C)CC2)n[nH]1)Cc1c[nH]c2ccccc12.CCCC(CC(=O)c1nnc(N2CCN(C(C)(C)C)CC2)s1)Cc1c[nH]c2ccccc12.CCCC(CC(=O)c1nnc(N2CCN(CC(F)(F)F)CC2)s1)Cc1c[nH]c2ccccc12.
What is the InChIKey of 1-[2-(4-tert-butylpiperazin-1-yl)-1,3-oxazol-5-yl]-3-(1H-indol-3-ylmethyl)hexan-1-one;1-[5-(4-tert-butylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-3-(1H-indol-3-ylmethyl)hexan-1-one;1-[3-(4-tert-butylpiperazin-1-yl)-1H-1,2,4-triazol-5-yl]-3-(1H-indol-3-ylmethyl)hexan-1-one;3-(1H-indol-3-ylmethyl)-1-[5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3,4-thiadiazol-2-yl]hexan-1-one?
The InChIKey is GOQPNSSBOPRIHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N4O2.C25H36N6O.C25H35N5OS.C23H28F3N5OS/c1-5-8-19(15-20-17-27-22-10-7-6-9-21(20)22)16-23(31)24-18-28-25(32-24)29-11-13-30(14-12-29)26(2,3)4;1-5-8-18(15-19-17-26-21-10-7-6-9-20(19)21)16-22(32)23-27-24(29-28-23)30-11-13-31(14-12-30)25(2,3)4;1-5-8-18(15-19-17-26-21-10-7-6-9-20(19)21)16-22(31)23-27-28-24(32-23)29-11-13-30(14-12-29)25(2,3)4;1-2-5-16(12-17-14-27-19-7-4-3-6-18(17)19)13-20(32)21-28-29-22(33-21)31-10-8-30(9-11-31)15-23(24,25)26/h6-7,9-10,17-19,27H,5,8,11-16H2,1-4H3;6-7,9-10,17-18,26H,5,8,11-16H2,1-4H3,(H,27,28,29);6-7,9-10,17-18,26H,5,8,11-16H2,1-4H3;3-4,6-7,14,16,27H,2,5,8-13,15H2,1H3.
What are the key properties of 1-[2-(4-tert-butylpiperazin-1-yl)-1,3-oxazol-5-yl]-3-(1H-indol-3-ylmethyl)hexan-1-one;1-[5-(4-tert-butylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-3-(1H-indol-3-ylmethyl)hexan-1-one;1-[3-(4-tert-butylpiperazin-1-yl)-1H-1,2,4-triazol-5-yl]-3-(1H-indol-3-ylmethyl)hexan-1-one;3-(1H-indol-3-ylmethyl)-1-[5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3,4-thiadiazol-2-yl]hexan-1-one?
1-[2-(4-tert-butylpiperazin-1-yl)-1,3-oxazol-5-yl]-3-(1H-indol-3-ylmethyl)hexan-1-one;1-[5-(4-tert-butylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-3-(1H-indol-3-ylmethyl)hexan-1-one;1-[3-(4-tert-butylpiperazin-1-yl)-1H-1,2,4-triazol-5-yl]-3-(1H-indol-3-ylmethyl)hexan-1-one;3-(1H-indol-3-ylmethyl)-1-[5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3,4-thiadiazol-2-yl]hexan-1-one has a molecular weight of 1806.43 g/mol, XLogP of 19.85, 33 rotatable bonds, 5 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-tert-butylpiperazin-1-yl)-1,3-oxazol-5-yl]-3-(1H-indol-3-ylmethyl)hexan-1-one;1-[5-(4-tert-butylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-3-(1H-indol-3-ylmethyl)hexan-1-one;1-[3-(4-tert-butylpiperazin-1-yl)-1H-1,2,4-triazol-5-yl]-3-(1H-indol-3-ylmethyl)hexan-1-one;3-(1H-indol-3-ylmethyl)-1-[5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3,4-thiadiazol-2-yl]hexan-1-one is sourced from PubChem (CID 158319377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).