1-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]-2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]ethanone;4-[2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]acetyl]-1-(3-methoxyphenyl)piperazin-2-one;4-[2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]acetyl]-1-pyridin-2-ylpiperazin-2-one;4-[2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]acetyl]-1-(1,3-thiazol-2-yl)piperazin-2-one

C103H84F8N22O9S — CID 158356288

IUPAC1-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]-2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]ethanone;4-[2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]acetyl]-1-(3-methoxyphenyl)piperazin-2-one;4-[2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]acetyl]-1-pyridin-2-ylpiperazin-2-one;4-[2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]acetyl]-1-(1,3-thiazol-2-yl)piperazin-2-one
SMILESCOc1cccc(N2CCN(C(=O)Cn3nc(-c4ccc(F)cc4)nc3-c3ccc(F)cc3)CC2=O)c1.O=C(Cn1nc(-c2ccc(F)cc2)nc1-c1ccc(F)cc1)N1CCC(c2noc3ccccc23)CC1.O=C(Cn1nc(-c2ccc(F)cc2)nc1-c1ccc(F)cc1)N1CCN(c2ccccn2)C(=O)C1.O=C(Cn1nc(-c2ccc(F)cc2)nc1-c1ccc(F)cc1)N1CCN(c2nccs2)C(=O)C1
InChIInChI=1S/C28H23F2N5O2.C27H23F2N5O3.C25H20F2N6O2.C23H18F2N6O2S/c29-21-9-5-19(6-10-21)27-31-28(20-7-11-22(30)12-8-20)35(32-27)17-25(36)34-15-13-18(14-16-34)26-23-3-1-2-4-24(23)37-33-26;1-37-23-4-2-3-22(15-23)33-14-13-32(16-25(33)36)24(35)17-34-27(19-7-11-21(29)12-8-19)30-26(31-34)18-5-9-20(28)10-6-18;26-19-8-4-17(5-9-19)24-29-25(18-6-10-20(27)11-7-18)33(30-24)16-22(34)31-13-14-32(23(35)15-31)21-3-1-2-12-28-21;24-17-5-1-15(2-6-17)21-27-22(16-3-7-18(25)8-4-16)31(28-21)14-19(32)29-10-11-30(20(33)13-29)23-26-9-12-34-23/h1-12,18H,13-17H2;2-12,15H,13-14,16-17H2,1H3;1-12H,13-16H2;1-9,12H,10-11,13-14H2
InChIKeyGSXNNNOHMANBSK-UHFFFAOYSA-N
MW1958.00 g/mol
LogP15.59
Rot. Bonds21

About 1-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]-2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]ethanone;4-[2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]acetyl]-1-(3-methoxyphenyl)piperazin-2-one;4-[2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]acetyl]-1-pyridin-2-ylpiperazin-2-one;4-[2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]acetyl]-1-(1,3-thiazol-2-yl)piperazin-2-one

1-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]-2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]ethanone;4-[2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]acetyl]-1-(3-methoxyphenyl)piperazin-2-one;4-[2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]acetyl]-1-pyridin-2-ylpiperazin-2-one;4-[2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]acetyl]-1-(1,3-thiazol-2-yl)piperazin-2-one (PubChem CID 158356288) has the molecular formula C103H84F8N22O9S and a molecular weight of 1958.00 g/mol. Its IUPAC name is 1-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]-2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]ethanone;4-[2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]acetyl]-1-(3-methoxyphenyl)piperazin-2-one;4-[2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]acetyl]-1-pyridin-2-ylpiperazin-2-one;4-[2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]acetyl]-1-(1,3-thiazol-2-yl)piperazin-2-one.

Molecular Properties

Compound Name1-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]-2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]ethanone;4-[2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]acetyl]-1-(3-methoxyphenyl)piperazin-2-one;4-[2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]acetyl]-1-pyridin-2-ylpiperazin-2-one;4-[2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]acetyl]-1-(1,3-thiazol-2-yl)piperazin-2-one
PubChem CID158356288
Molecular FormulaC103H84F8N22O9S
Molecular Weight1958.00 g/mol
Exact Mass1956.64
IUPAC Name1-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]-2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]ethanone;4-[2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]acetyl]-1-(3-methoxyphenyl)piperazin-2-one;4-[2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]acetyl]-1-pyridin-2-ylpiperazin-2-one;4-[2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]acetyl]-1-(1,3-thiazol-2-yl)piperazin-2-one
SMILESCOc1cccc(N2CCN(C(=O)Cn3nc(-c4ccc(F)cc4)nc3-c3ccc(F)cc3)CC2=O)c1.O=C(Cn1nc(-c2ccc(F)cc2)nc1-c1ccc(F)cc1)N1CCC(c2noc3ccccc23)CC1.O=C(Cn1nc(-c2ccc(F)cc2)nc1-c1ccc(F)cc1)N1CCN(c2ccccn2)C(=O)C1.O=C(Cn1nc(-c2ccc(F)cc2)nc1-c1ccc(F)cc1)N1CCN(c2nccs2)C(=O)C1
InChIInChI=1S/C28H23F2N5O2.C27H23F2N5O3.C25H20F2N6O2.C23H18F2N6O2S/c29-21-9-5-19(6-10-21)27-31-28(20-7-11-22(30)12-8-20)35(32-27)17-25(36)34-15-13-18(14-16-34)26-23-3-1-2-4-24(23)37-33-26;1-37-23-4-2-3-22(15-23)33-14-13-32(16-25(33)36)24(35)17-34-27(19-7-11-21(29)12-8-19)30-26(31-34)18-5-9-20(28)10-6-18;26-19-8-4-17(5-9-19)24-29-25(18-6-10-20(27)11-7-18)33(30-24)16-22(34)31-13-14-32(23(35)15-31)21-3-1-2-12-28-21;24-17-5-1-15(2-6-17)21-27-22(16-3-7-18(25)8-4-16)31(28-21)14-19(32)29-10-11-30(20(33)13-29)23-26-9-12-34-23/h1-12,18H,13-17H2;2-12,15H,13-14,16-17H2,1H3;1-12H,13-16H2;1-9,12H,10-11,13-14H2
InChIKeyGSXNNNOHMANBSK-UHFFFAOYSA-N
XLogP15.59
TPSA326.05 Ų
H-Bond Donors
H-Bond Acceptors25
Rotatable Bonds21
Heavy Atoms143
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001958.00
LogP ≤ 515.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1025

Analyze 1-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]-2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]ethanone;4-[2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]acetyl]-1-(3-methoxyphenyl)piperazin-2-one;4-[2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]acetyl]-1-pyridin-2-ylpiperazin-2-one;4-[2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]acetyl]-1-(1,3-thiazol-2-yl)piperazin-2-one with MolForge

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Related Compounds

2-[5-Methyl-1-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]-1,2,4-triazol-3-yl]-5-[4-(trifluoromethoxy)phenyl]-1,3-oxazole;3-[5-methyl-1-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]-1,2,4-triazol-3-yl]-5-[4-(trifluoromethoxy)phenyl]-1,2-oxazole;5-[5-methyl-1-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]-1,2,4-triazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]-1,2-oxazole;2-[5-methyl-1-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]-1,2,4-triazol-3-yl]-4-[4-(trifluoromethoxy)phenyl]-1,3-thiazole;3-[5-methyl-1-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-1,2,4-triazol-3-yl]-5-[4-(trifluoromethoxy)phenyl]-1,2-oxazole;5-[5-methyl-1-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-1,2,4-triazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]-1,2-oxazole
CID 158272035
1,3-benzothiazol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1,2-benzoxazol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;imidazo[1,2-b]pyridazin-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(3-methyl-5H-cyclopenta[b]pyridin-6-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;pyridazin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;pyrrolo[1,2-b]pyridazin-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 161057089
Methane;2-[5-methyl-1-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]-1,2,4-triazol-3-yl]-5-[4-(trifluoromethoxy)phenyl]-1,3-oxazole;5-[5-methyl-1-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]-1,2,4-triazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]-1,2-oxazole;2-[5-methyl-1-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]-1,2,4-triazol-3-yl]-4-[4-(trifluoromethoxy)phenyl]-1,3-thiazole;5-[5-methyl-1-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-1,2,4-triazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]-1,2-oxazole;5-[5-methyl-1-[[2-(4-methylsulfonylpiperidin-1-yl)-4-pyridinyl]methyl]-1,2,4-triazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole
CID 161538335
5-[4-(1,1-Difluoroethoxy)phenyl]-2-[5-methyl-1-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-1,2,4-triazol-3-yl]-1,3-oxazole;3-[4-(1,1-difluoroethoxy)phenyl]-5-[5-methyl-1-[[3-(4-methylsulfonylpiperidin-1-yl)phenyl]methyl]-1,2,4-triazol-3-yl]-1,2-oxazole;3-[4-(1,1-difluoroethoxy)phenyl]-5-[5-methyl-1-[[2-(4-methylsulfonylpiperidin-1-yl)-4-pyridinyl]methyl]-1,2,4-triazol-3-yl]-1,2-oxazole;4-[4-[[3-[5-[4-(1,1-difluoroethoxy)phenyl]-1,3-oxazol-2-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]-2-pyridinyl]morpholine;2-[5-methyl-1-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-1,2,4-triazol-3-yl]-4-[4-(trifluoromethoxy)phenyl]-1,3-thiazole;1-[4-[3-[[5-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-1,2,4-triazol-1-yl]methyl]phenyl]piperazin-1-yl]propan-1-one
CID 162122089
5-[4-(1,1-Difluoroethoxy)phenyl]-2-[5-methyl-1-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-1,2,4-triazol-3-yl]-1,3-oxazole;3-[4-(1,1-difluoroethoxy)phenyl]-5-[5-methyl-1-[[3-(4-methylsulfonylpiperidin-1-yl)phenyl]methyl]-1,2,4-triazol-3-yl]-1,2-oxazole;4-[4-[[3-[5-[4-(1,1-difluoroethoxy)phenyl]-1,3-oxazol-2-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]-2-pyridinyl]morpholine;methane;2-[5-methyl-1-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-1,2,4-triazol-3-yl]-4-[4-(trifluoromethoxy)phenyl]-1,3-thiazole;5-[5-methyl-1-[[3-(4-methylsulfonylpiperazin-1-yl)phenyl]methyl]-1,2,4-triazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole;5-[5-methyl-1-[(3-piperidin-1-ylphenyl)methyl]-1,2,4-triazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole;1-[4-[3-[[5-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-1,2,4-triazol-1-yl]methyl]phenyl]piperazin-1-yl]propan-1-one
CID 162144064
2-[3,5-Bis(4-fluorophenyl)-1,2,4-triazol-1-yl]-1-[4-(6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)piperazin-1-yl]ethanone;2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]-1-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)ethanone;2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]-1-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)ethanone;2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]-1-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)ethanone;2-[3-[4-(difluoromethoxy)phenyl]-5-phenyl-1,2,4-triazol-1-yl]-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]ethanone
CID 158498570
5-[2-(2-Methoxyphenyl)ethyl]-8-(2-methoxy-4-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxyphenyl)ethyl]-8-(6-methylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxyphenyl)ethyl]-8-[4-(pyrrolidin-1-ylmethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine;4-[5-[2-(2-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-3,5-dimethyl-1,2-oxazole;1-[4-[5-[2-(2-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]phenyl]ethanone
CID 159755205
2,6-difluoro-N-[5-[3-(2-methoxyphenyl)-1-methylpyrazol-5-yl]-2-pyridinyl]benzamide;2,6-difluoro-N-[5-[1-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)pyrazol-5-yl]-2-pyridinyl]benzamide;2,6-difluoro-N-[5-[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]-2-pyridinyl]benzamide;2-fluoro-N-[5-[3-(2-methoxyphenyl)-1-methylpyrazol-5-yl]-2-pyridinyl]benzamide;N-[5-[3-(2-methoxyphenyl)-1-methylpyrazol-5-yl]-2-pyridinyl]-3-methylthiophene-2-carboxamide
CID 160105422
2,6-difluoro-N-[5-[3-(2-methoxyphenyl)-1-methylpyrazol-5-yl]-2-pyridinyl]benzamide;2,6-difluoro-N-[5-[1-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)pyrazol-5-yl]-2-pyridinyl]benzamide;2,6-difluoro-N-[5-[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]-2-pyridinyl]benzamide;2-fluoro-N-[5-[3-(2-methoxyphenyl)-1-methylpyrazol-5-yl]-2-pyridinyl]benzamide;N-[5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-2-pyridinyl]-3-methylthiophene-2-carboxamide;N-[5-[3-(2-methoxyphenyl)-1-methylpyrazol-5-yl]-2-pyridinyl]-3-methylthiophene-2-carboxamide
CID 161856773

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]-2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]ethanone;4-[2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]acetyl]-1-(3-methoxyphenyl)piperazin-2-one;4-[2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]acetyl]-1-pyridin-2-ylpiperazin-2-one;4-[2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]acetyl]-1-(1,3-thiazol-2-yl)piperazin-2-one?
The IUPAC name of 1-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]-2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]ethanone;4-[2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]acetyl]-1-(3-methoxyphenyl)piperazin-2-one;4-[2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]acetyl]-1-pyridin-2-ylpiperazin-2-one;4-[2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]acetyl]-1-(1,3-thiazol-2-yl)piperazin-2-one (CID 158356288) is 1-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]-2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]ethanone;4-[2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]acetyl]-1-(3-methoxyphenyl)piperazin-2-one;4-[2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]acetyl]-1-pyridin-2-ylpiperazin-2-one;4-[2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]acetyl]-1-(1,3-thiazol-2-yl)piperazin-2-one.
What is the SMILES notation for 1-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]-2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]ethanone;4-[2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]acetyl]-1-(3-methoxyphenyl)piperazin-2-one;4-[2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]acetyl]-1-pyridin-2-ylpiperazin-2-one;4-[2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]acetyl]-1-(1,3-thiazol-2-yl)piperazin-2-one?
The canonical SMILES for 1-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]-2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]ethanone;4-[2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]acetyl]-1-(3-methoxyphenyl)piperazin-2-one;4-[2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]acetyl]-1-pyridin-2-ylpiperazin-2-one;4-[2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]acetyl]-1-(1,3-thiazol-2-yl)piperazin-2-one is COc1cccc(N2CCN(C(=O)Cn3nc(-c4ccc(F)cc4)nc3-c3ccc(F)cc3)CC2=O)c1.O=C(Cn1nc(-c2ccc(F)cc2)nc1-c1ccc(F)cc1)N1CCC(c2noc3ccccc23)CC1.O=C(Cn1nc(-c2ccc(F)cc2)nc1-c1ccc(F)cc1)N1CCN(c2ccccn2)C(=O)C1.O=C(Cn1nc(-c2ccc(F)cc2)nc1-c1ccc(F)cc1)N1CCN(c2nccs2)C(=O)C1.
What is the InChIKey of 1-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]-2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]ethanone;4-[2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]acetyl]-1-(3-methoxyphenyl)piperazin-2-one;4-[2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]acetyl]-1-pyridin-2-ylpiperazin-2-one;4-[2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]acetyl]-1-(1,3-thiazol-2-yl)piperazin-2-one?
The InChIKey is GSXNNNOHMANBSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23F2N5O2.C27H23F2N5O3.C25H20F2N6O2.C23H18F2N6O2S/c29-21-9-5-19(6-10-21)27-31-28(20-7-11-22(30)12-8-20)35(32-27)17-25(36)34-15-13-18(14-16-34)26-23-3-1-2-4-24(23)37-33-26;1-37-23-4-2-3-22(15-23)33-14-13-32(16-25(33)36)24(35)17-34-27(19-7-11-21(29)12-8-19)30-26(31-34)18-5-9-20(28)10-6-18;26-19-8-4-17(5-9-19)24-29-25(18-6-10-20(27)11-7-18)33(30-24)16-22(34)31-13-14-32(23(35)15-31)21-3-1-2-12-28-21;24-17-5-1-15(2-6-17)21-27-22(16-3-7-18(25)8-4-16)31(28-21)14-19(32)29-10-11-30(20(33)13-29)23-26-9-12-34-23/h1-12,18H,13-17H2;2-12,15H,13-14,16-17H2,1H3;1-12H,13-16H2;1-9,12H,10-11,13-14H2.
What are the key properties of 1-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]-2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]ethanone;4-[2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]acetyl]-1-(3-methoxyphenyl)piperazin-2-one;4-[2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]acetyl]-1-pyridin-2-ylpiperazin-2-one;4-[2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]acetyl]-1-(1,3-thiazol-2-yl)piperazin-2-one?
1-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]-2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]ethanone;4-[2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]acetyl]-1-(3-methoxyphenyl)piperazin-2-one;4-[2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]acetyl]-1-pyridin-2-ylpiperazin-2-one;4-[2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]acetyl]-1-(1,3-thiazol-2-yl)piperazin-2-one has a molecular weight of 1958.00 g/mol, XLogP of 15.59, 21 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]-2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]ethanone;4-[2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]acetyl]-1-(3-methoxyphenyl)piperazin-2-one;4-[2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]acetyl]-1-pyridin-2-ylpiperazin-2-one;4-[2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]acetyl]-1-(1,3-thiazol-2-yl)piperazin-2-one is sourced from PubChem (CID 158356288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).