1-[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-2-(4-cyclopropylphenyl)ethanone;2-(4-cyclopropylphenyl)-1-[4-(3H-indol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-(1-methylbenzimidazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-(5-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-(6-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone;N-[4-[2-[4-(4-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-oxoethyl]phenyl]methanesulfonamide;N-[4-[2-[4-(4-fluoro-6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-oxoethyl]phenyl]methanesulfonamide

C199H215F2N31O17S5 — CID 164971056

IUPAC1-[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-2-(4-cyclopropylphenyl)ethanone;2-(4-cyclopropylphenyl)-1-[4-(3H-indol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-(1-methylbenzimidazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-(5-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-(6-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone;N-[4-[2-[4-(4-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-oxoethyl]phenyl]methanesulfonamide;N-[4-[2-[4-(4-fluoro-6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-oxoethyl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(CC(=O)N2CCN(c3nc4c(F)cccc4s3)CC2)cc1.Cc1cc(F)c2nc(N3CCN(C(=O)Cc4ccc(NS(C)(=O)=O)cc4)CC3)sc2c1.Cc1ccc2nc(N3CCN(C(=O)Cc4ccc(C5CC5)cc4)CC3)oc2c1.Cc1ccc2oc(N3CCN(C(=O)Cc4ccc(C5CC5)cc4)CC3)nc2c1.Cc1ccc2sc(N3CCN(C(=O)Cc4ccc(C5CC5)cc4)CC3)nc2c1.Cn1c(N2CCN(C(=O)Cc3ccc(C4CC4)cc3)CC2)nc2ccccc21.O=C(Cc1ccc(C2CC2)cc1)N1CCN(C2=Nc3ccccc3C2)CC1.O=C(Cc1ccc(C2CC2)cc1)N1CCN(c2nc3ccccc3o2)CC1.O=C(Cc1ccc(C2CC2)cc1)N1CCN(c2nc3ncccc3o2)CC1
InChIInChI=1S/C23H26N4O.2C23H25N3O2.C23H25N3OS.C23H25N3O.C22H23N3O2.C21H23FN4O3S2.C21H22N4O2.C20H21FN4O3S2/c1-25-21-5-3-2-4-20(21)24-23(25)27-14-12-26(13-15-27)22(28)16-17-6-8-18(9-7-17)19-10-11-19;1-16-2-9-21-20(14-16)24-23(28-21)26-12-10-25(11-13-26)22(27)15-17-3-5-18(6-4-17)19-7-8-19;1-16-2-9-20-21(14-16)28-23(24-20)26-12-10-25(11-13-26)22(27)15-17-3-5-18(6-4-17)19-7-8-19;1-16-2-9-21-20(14-16)24-23(28-21)26-12-10-25(11-13-26)22(27)15-17-3-5-18(6-4-17)19-7-8-19;27-23(15-17-5-7-18(8-6-17)19-9-10-19)26-13-11-25(12-14-26)22-16-20-3-1-2-4-21(20)24-22;26-21(15-16-5-7-17(8-6-16)18-9-10-18)24-11-13-25(14-12-24)22-23-19-3-1-2-4-20(19)27-22;1-14-11-17(22)20-18(12-14)30-21(23-20)26-9-7-25(8-10-26)19(27)13-15-3-5-16(6-4-15)24-31(2,28)29;26-19(14-15-3-5-16(6-4-15)17-7-8-17)24-10-12-25(13-11-24)21-23-20-18(27-21)2-1-9-22-20;1-30(27,28)23-15-7-5-14(6-8-15)13-18(26)24-9-11-25(12-10-24)20-22-19-16(21)3-2-4-17(19)29-20/h2-9,19H,10-16H2,1H3;3*2-6,9,14,19H,7-8,10-13,15H2,1H3;1-8,19H,9-16H2;1-8,18H,9-15H2;3-6,11-12,24H,7-10,13H2,1-2H3;1-6,9,17H,7-8,10-14H2;2-8,23H,9-13H2,1H3
InChIKeyDCWZBCWQZLYLSF-UHFFFAOYSA-N
MW3511.44 g/mol
LogP31.36
Rot. Bonds37

About 1-[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-2-(4-cyclopropylphenyl)ethanone;2-(4-cyclopropylphenyl)-1-[4-(3H-indol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-(1-methylbenzimidazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-(5-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-(6-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone;N-[4-[2-[4-(4-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-oxoethyl]phenyl]methanesulfonamide;N-[4-[2-[4-(4-fluoro-6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-oxoethyl]phenyl]methanesulfonamide

1-[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-2-(4-cyclopropylphenyl)ethanone;2-(4-cyclopropylphenyl)-1-[4-(3H-indol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-(1-methylbenzimidazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-(5-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-(6-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone;N-[4-[2-[4-(4-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-oxoethyl]phenyl]methanesulfonamide;N-[4-[2-[4-(4-fluoro-6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-oxoethyl]phenyl]methanesulfonamide (PubChem CID 164971056) has the molecular formula C199H215F2N31O17S5 and a molecular weight of 3511.44 g/mol. Its IUPAC name is 1-[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-2-(4-cyclopropylphenyl)ethanone;2-(4-cyclopropylphenyl)-1-[4-(3H-indol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-(1-methylbenzimidazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-(5-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-(6-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone;N-[4-[2-[4-(4-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-oxoethyl]phenyl]methanesulfonamide;N-[4-[2-[4-(4-fluoro-6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-oxoethyl]phenyl]methanesulfonamide.

Molecular Properties

Compound Name1-[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-2-(4-cyclopropylphenyl)ethanone;2-(4-cyclopropylphenyl)-1-[4-(3H-indol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-(1-methylbenzimidazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-(5-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-(6-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone;N-[4-[2-[4-(4-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-oxoethyl]phenyl]methanesulfonamide;N-[4-[2-[4-(4-fluoro-6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-oxoethyl]phenyl]methanesulfonamide
PubChem CID164971056
Molecular FormulaC199H215F2N31O17S5
Molecular Weight3511.44 g/mol
Exact Mass3508.55
IUPAC Name1-[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-2-(4-cyclopropylphenyl)ethanone;2-(4-cyclopropylphenyl)-1-[4-(3H-indol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-(1-methylbenzimidazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-(5-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-(6-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone;N-[4-[2-[4-(4-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-oxoethyl]phenyl]methanesulfonamide;N-[4-[2-[4-(4-fluoro-6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-oxoethyl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(CC(=O)N2CCN(c3nc4c(F)cccc4s3)CC2)cc1.Cc1cc(F)c2nc(N3CCN(C(=O)Cc4ccc(NS(C)(=O)=O)cc4)CC3)sc2c1.Cc1ccc2nc(N3CCN(C(=O)Cc4ccc(C5CC5)cc4)CC3)oc2c1.Cc1ccc2oc(N3CCN(C(=O)Cc4ccc(C5CC5)cc4)CC3)nc2c1.Cc1ccc2sc(N3CCN(C(=O)Cc4ccc(C5CC5)cc4)CC3)nc2c1.Cn1c(N2CCN(C(=O)Cc3ccc(C4CC4)cc3)CC2)nc2ccccc21.O=C(Cc1ccc(C2CC2)cc1)N1CCN(C2=Nc3ccccc3C2)CC1.O=C(Cc1ccc(C2CC2)cc1)N1CCN(c2nc3ccccc3o2)CC1.O=C(Cc1ccc(C2CC2)cc1)N1CCN(c2nc3ncccc3o2)CC1
InChIInChI=1S/C23H26N4O.2C23H25N3O2.C23H25N3OS.C23H25N3O.C22H23N3O2.C21H23FN4O3S2.C21H22N4O2.C20H21FN4O3S2/c1-25-21-5-3-2-4-20(21)24-23(25)27-14-12-26(13-15-27)22(28)16-17-6-8-18(9-7-17)19-10-11-19;1-16-2-9-21-20(14-16)24-23(28-21)26-12-10-25(11-13-26)22(27)15-17-3-5-18(6-4-17)19-7-8-19;1-16-2-9-20-21(14-16)28-23(24-20)26-12-10-25(11-13-26)22(27)15-17-3-5-18(6-4-17)19-7-8-19;1-16-2-9-21-20(14-16)24-23(28-21)26-12-10-25(11-13-26)22(27)15-17-3-5-18(6-4-17)19-7-8-19;27-23(15-17-5-7-18(8-6-17)19-9-10-19)26-13-11-25(12-14-26)22-16-20-3-1-2-4-21(20)24-22;26-21(15-16-5-7-17(8-6-16)18-9-10-18)24-11-13-25(14-12-24)22-23-19-3-1-2-4-20(19)27-22;1-14-11-17(22)20-18(12-14)30-21(23-20)26-9-7-25(8-10-26)19(27)13-15-3-5-16(6-4-15)24-31(2,28)29;26-19(14-15-3-5-16(6-4-15)17-7-8-17)24-10-12-25(13-11-24)21-23-20-18(27-21)2-1-9-22-20;1-30(27,28)23-15-7-5-14(6-8-15)13-18(26)24-9-11-25(12-10-24)20-22-19-16(21)3-2-4-17(19)29-20/h2-9,19H,10-16H2,1H3;3*2-6,9,14,19H,7-8,10-13,15H2,1H3;1-8,19H,9-16H2;1-8,18H,9-15H2;3-6,11-12,24H,7-10,13H2,1-2H3;1-6,9,17H,7-8,10-14H2;2-8,23H,9-13H2,1H3
InChIKeyDCWZBCWQZLYLSF-UHFFFAOYSA-N
XLogP31.36
TPSA490.15 Ų
H-Bond Donors2
H-Bond Acceptors40
Rotatable Bonds37
Heavy Atoms254
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003511.44
LogP ≤ 531.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1040

Analyze 1-[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-2-(4-cyclopropylphenyl)ethanone;2-(4-cyclopropylphenyl)-1-[4-(3H-indol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-(1-methylbenzimidazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-(5-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-(6-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone;N-[4-[2-[4-(4-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-oxoethyl]phenyl]methanesulfonamide;N-[4-[2-[4-(4-fluoro-6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-oxoethyl]phenyl]methanesulfonamide with MolForge

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Related Compounds

1-(1,1-Difluoroethyl)-3-methyl-5-(trifluoromethyl)benzene;2,6-dimethyl-1,3-benzothiazole;2,5-dimethyl-1-benzothiophene;2,6-dimethyl-1,3-benzoxazole;3,7-dimethylimidazo[4,5-f]benzimidazole;2,3-dimethyl-1,10-phenanthroline;10-methylacridin-9-one;4-methylbenzene-1,2-dicarbonitrile;4-methyl-[1]benzothiolo[2,3-b]pyridine;9-methylcarbazole;4-methyldibenzothiophene;1-methyl-4-methylsulfonylbenzene;6-methyl-2-phenyl-1,3-benzoxazole;1-(4-methylphenyl)ethanone;9-methylpyrido[2,3-b]indole;3-methylquinoline;8-methyl-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;3,4,5-trimethylbenzonitrile
CID 161760990
2-(4-cyclopropylphenyl)-1-[4-[6-(1,1-difluoroethyl)pyridazin-3-yl]piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-([1,3]thiazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone;N-[4-[2-[4-[6-(1,1-difluoroethyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]phenyl]methanesulfonamide;2-[4-(dimethylamino)phenyl]-1-[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]ethanone;bis(2-[4-(dimethylamino)phenyl]-1-[4-([1,3]thiazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone);2-[4-(dimethylamino)phenyl]-1-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]ethanone;N-[4-[2-[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]-2-oxoethyl]phenyl]methanesulfonamide;N-[4-[2-oxo-2-[4-([1,3]thiazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethyl]phenyl]methanesulfonamide;N-[4-[2-oxo-2-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]ethyl]phenyl]methanesulfonamide
CID 165000536
2,6-dimethyl-1H-benzimidazole;2,5-dimethyl-1,3-benzothiazole;2,6-dimethyl-1,3-benzothiazole;2,5-dimethylfuro[3,2-b]pyridine;2,5-dimethyl-1H-imidazo[4,5-b]pyridine;2,6-dimethyl-1H-imidazo[4,5-b]pyridine;2,5-dimethylindazole;2,6-dimethylindazole;2,5-dimethyl-[1,3]oxazolo[4,5-b]pyridine;2,6-dimethyl-[1,3]oxazolo[4,5-b]pyridine;2,6-dimethyl-[1,3]oxazolo[5,4-b]pyridine;2,6-dimethylpyrazolo[3,4-b]pyridine;2,6-dimethylpyrazolo[4,3-b]pyridine;2,5-dimethyl-3H-pyrrolo[3,2-b]pyridine;2,5-dimethyl-[1,3]thiazolo[4,5-b]pyridine;2,6-dimethyl-[1,3]thiazolo[4,5-b]pyridine;6-fluoro-2,5-dimethyl-1,3-benzothiazole;6-fluoro-2,5-dimethyl-1,3-benzoxazole;6-fluoro-2,5-dimethyl-1H-imidazo[4,5-b]pyridine;6-fluoro-2,5-dimethyl-[1,3]thiazolo[4,5-b]pyridine;5-methyl-2-propan-2-yl-[1,3]oxazolo[4,5-b]pyridine;2,3,6-trimethylimidazo[4,5-b]pyridine
CID 157394364
1,2-Dimethyl-5-propan-2-ylbenzimidazole;ethane;1-methyl-5-propan-2-ylbenzimidazole;2-methyl-5-propan-2-yl-1,3-benzothiazole;2-methyl-5-propan-2-yl-1,3-benzoxazole;1-methyl-6-propan-2-ylindole;2-methyl-6-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;6-propan-2-yl-1-benzofuran;5-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1-benzothiophene;5-propan-2-yl-1,3-benzoxazole;7-propan-2-ylisoquinoline;2-propan-2-ylnaphthalene;3-propan-2-yl-1,5-naphthyridine;3-propan-2-yl-1,6-naphthyridine;6-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine;3-propan-2-ylquinoline;7-propan-2-ylquinoline;6-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine
CID 157429059
6-[3-[7-[3-(1,3-Benzothiazol-6-yl)phenyl]phenanthren-2-yl]phenyl]-1,3-benzothiazole;6-[3-[7-[3-(1,3-benzoxazol-6-yl)phenyl]phenanthren-2-yl]phenyl]-1,3-benzoxazole;1-methyl-2-[3-[7-[3-(1-methylbenzimidazol-2-yl)phenyl]phenanthren-2-yl]phenyl]benzimidazole;1-methyl-6-[3-[7-[3-(3-methylbenzimidazol-5-yl)phenyl]phenanthren-2-yl]phenyl]benzimidazole;1-methyl-2-(4-phenanthren-2-ylphenyl)benzimidazole;1-methyl-6-(4-phenanthren-2-ylphenyl)benzimidazole;1-methyl-2-(6-phenanthren-2-yl-2-pyridinyl)benzimidazole;1-methyl-6-(6-phenanthren-2-yl-2-pyridinyl)benzimidazole;6-(4-phenanthren-2-ylphenyl)-1,3-benzothiazole;2-(4-phenanthren-2-ylphenyl)-1,3-benzoxazole;6-(4-phenanthren-2-ylphenyl)-1,3-benzoxazole;6-(6-phenanthren-2-yl-2-pyridinyl)-1,3-benzothiazole;2-(6-phenanthren-2-yl-2-pyridinyl)-1,3-benzoxazole;6-(6-phenanthren-2-yl-2-pyridinyl)-1,3-benzoxazole
CID 157444964
2,5-Dimethyl-1,3-benzothiazole;2,5-dimethyl-1,3-benzoxazole;2,5-dimethyl-[1,3]oxazolo[4,5-b]pyridine;2,5-dimethyl-[1,3]thiazolo[4,5-b]pyridine;ethane;7-methylimidazo[1,2-a]pyridine;7-methylimidazo[1,2-a]pyrimidine;1,2,5-trimethylbenzimidazole;2,3,6-trimethylimidazo[4,5-b]pyridine
CID 157474605
2-[4-[6,10-Bis(4-phenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]-1,3,5-triazin-2-yl]-1,10-phenanthroline;1-methyl-2-(3-triphenylen-2-ylphenyl)benzimidazole;1-methyl-6-(3-triphenylen-2-ylphenyl)benzimidazole;1-methyl-6-(4-triphenylen-2-ylphenyl)benzimidazole;6-(3-triphenylen-2-ylphenyl)-1,3-benzothiazole;2-(3-triphenylen-2-ylphenyl)-1,3-benzoxazole;6-(3-triphenylen-2-ylphenyl)-1,3-benzoxazole
CID 157573076
1,4,5,6,7-Pentamethyl-2-propan-2-ylbenzimidazole;1,4,5,6,7-pentamethyl-2-propan-2-ylindole;4,5,6,7-tetramethyl-2-propan-2-yl-1-benzofuran;4,5,6,7-tetramethyl-2-propan-2-yl-1,3-benzothiazole;4,5,6,7-tetramethyl-2-propan-2-yl-1-benzothiophene;4,5,6,7-tetramethyl-2-propan-2-yl-1,3-benzoxazole;3,5,6,7-tetramethyl-2-propan-2-ylimidazo[4,5-b]pyridine;1,4,5,6-tetramethyl-2-propan-2-ylpyrrolo[2,3-b]pyridine;4,5,6-trimethyl-2-propan-2-ylfuro[2,3-b]pyridine;5,6,7-trimethyl-2-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine;5,6,7-trimethyl-2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;4,5,6-trimethyl-2-propan-2-ylthieno[2,3-b]pyridine
CID 157770048
10-[3-(1,3-Benzothiazol-2-yl)-4-[2-(1,3-benzothiazol-2-yl)-4-phenoxazin-10-ylphenyl]phenyl]phenoxazine;10-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)-4-[2-([1,3]oxazolo[4,5-b]pyridin-2-yl)-4-phenoxazin-10-ylphenyl]phenyl]phenoxazine;10-[4-[4-phenoxazin-10-yl-2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]phenoxazine
CID 157798423
6-tert-butyl-2-propan-2-yl-1-benzofuran;6-tert-butyl-2-propan-2-yl-1,3-benzothiazole;6-tert-butyl-2-propan-2-ylfuro[3,2-b]pyridine;2,6-di(propan-2-yl)-1H-benzimidazole;2,5-di(propan-2-yl)-1-benzofuran;2,5-di(propan-2-yl)-1,3-benzothiazole;2,5-di(propan-2-yl)-1,3-benzoxazole;2,5-di(propan-2-yl)furo[2,3-b]pyridine;2,5-di(propan-2-yl)furo[3,2-b]pyridine;2,5-di(propan-2-yl)furo[2,3-c]pyridine;2,6-di(propan-2-yl)imidazo[1,2-a]pyridine;2,5-di(propan-2-yl)-1H-indole;2,5-di(propan-2-yl)-[1,3]thiazolo[4,5-b]pyridine;2,6-di(propan-2-yl)-[1,3]thiazolo[5,4-b]pyridine
CID 157868079
6-[6-[7-[6-(1,3-Benzothiazol-6-yl)-2-pyridinyl]triphenylen-2-yl]-2-pyridinyl]-1,3-benzothiazole;2-[3-[7-[3-(1,3-benzoxazol-2-yl)phenyl]triphenylen-2-yl]phenyl]-1,3-benzoxazole;6-[6-[7-[6-(1,3-benzoxazol-6-yl)-2-pyridinyl]triphenylen-2-yl]-2-pyridinyl]-1,3-benzoxazole;1-methyl-6-[6-[7-[6-(3-methylbenzimidazol-5-yl)-2-pyridinyl]triphenylen-2-yl]-2-pyridinyl]benzimidazole
CID 158107686
10-[3-(1,3-Benzothiazol-2-yl)-5-[3-(1,3-benzothiazol-2-yl)-5-phenoxazin-10-ylphenyl]phenyl]phenoxazine;10-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)-5-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)-5-phenoxazin-10-ylphenyl]phenyl]phenoxazine;10-[3-[3-phenoxazin-10-yl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]phenoxazine
CID 158141692

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-2-(4-cyclopropylphenyl)ethanone;2-(4-cyclopropylphenyl)-1-[4-(3H-indol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-(1-methylbenzimidazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-(5-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-(6-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone;N-[4-[2-[4-(4-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-oxoethyl]phenyl]methanesulfonamide;N-[4-[2-[4-(4-fluoro-6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-oxoethyl]phenyl]methanesulfonamide?
The IUPAC name of 1-[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-2-(4-cyclopropylphenyl)ethanone;2-(4-cyclopropylphenyl)-1-[4-(3H-indol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-(1-methylbenzimidazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-(5-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-(6-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone;N-[4-[2-[4-(4-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-oxoethyl]phenyl]methanesulfonamide;N-[4-[2-[4-(4-fluoro-6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-oxoethyl]phenyl]methanesulfonamide (CID 164971056) is 1-[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-2-(4-cyclopropylphenyl)ethanone;2-(4-cyclopropylphenyl)-1-[4-(3H-indol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-(1-methylbenzimidazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-(5-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-(6-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone;N-[4-[2-[4-(4-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-oxoethyl]phenyl]methanesulfonamide;N-[4-[2-[4-(4-fluoro-6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-oxoethyl]phenyl]methanesulfonamide.
What is the SMILES notation for 1-[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-2-(4-cyclopropylphenyl)ethanone;2-(4-cyclopropylphenyl)-1-[4-(3H-indol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-(1-methylbenzimidazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-(5-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-(6-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone;N-[4-[2-[4-(4-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-oxoethyl]phenyl]methanesulfonamide;N-[4-[2-[4-(4-fluoro-6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-oxoethyl]phenyl]methanesulfonamide?
The canonical SMILES for 1-[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-2-(4-cyclopropylphenyl)ethanone;2-(4-cyclopropylphenyl)-1-[4-(3H-indol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-(1-methylbenzimidazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-(5-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-(6-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone;N-[4-[2-[4-(4-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-oxoethyl]phenyl]methanesulfonamide;N-[4-[2-[4-(4-fluoro-6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-oxoethyl]phenyl]methanesulfonamide is CS(=O)(=O)Nc1ccc(CC(=O)N2CCN(c3nc4c(F)cccc4s3)CC2)cc1.Cc1cc(F)c2nc(N3CCN(C(=O)Cc4ccc(NS(C)(=O)=O)cc4)CC3)sc2c1.Cc1ccc2nc(N3CCN(C(=O)Cc4ccc(C5CC5)cc4)CC3)oc2c1.Cc1ccc2oc(N3CCN(C(=O)Cc4ccc(C5CC5)cc4)CC3)nc2c1.Cc1ccc2sc(N3CCN(C(=O)Cc4ccc(C5CC5)cc4)CC3)nc2c1.Cn1c(N2CCN(C(=O)Cc3ccc(C4CC4)cc3)CC2)nc2ccccc21.O=C(Cc1ccc(C2CC2)cc1)N1CCN(C2=Nc3ccccc3C2)CC1.O=C(Cc1ccc(C2CC2)cc1)N1CCN(c2nc3ccccc3o2)CC1.O=C(Cc1ccc(C2CC2)cc1)N1CCN(c2nc3ncccc3o2)CC1.
What is the InChIKey of 1-[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-2-(4-cyclopropylphenyl)ethanone;2-(4-cyclopropylphenyl)-1-[4-(3H-indol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-(1-methylbenzimidazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-(5-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-(6-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone;N-[4-[2-[4-(4-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-oxoethyl]phenyl]methanesulfonamide;N-[4-[2-[4-(4-fluoro-6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-oxoethyl]phenyl]methanesulfonamide?
The InChIKey is DCWZBCWQZLYLSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O.2C23H25N3O2.C23H25N3OS.C23H25N3O.C22H23N3O2.C21H23FN4O3S2.C21H22N4O2.C20H21FN4O3S2/c1-25-21-5-3-2-4-20(21)24-23(25)27-14-12-26(13-15-27)22(28)16-17-6-8-18(9-7-17)19-10-11-19;1-16-2-9-21-20(14-16)24-23(28-21)26-12-10-25(11-13-26)22(27)15-17-3-5-18(6-4-17)19-7-8-19;1-16-2-9-20-21(14-16)28-23(24-20)26-12-10-25(11-13-26)22(27)15-17-3-5-18(6-4-17)19-7-8-19;1-16-2-9-21-20(14-16)24-23(28-21)26-12-10-25(11-13-26)22(27)15-17-3-5-18(6-4-17)19-7-8-19;27-23(15-17-5-7-18(8-6-17)19-9-10-19)26-13-11-25(12-14-26)22-16-20-3-1-2-4-21(20)24-22;26-21(15-16-5-7-17(8-6-16)18-9-10-18)24-11-13-25(14-12-24)22-23-19-3-1-2-4-20(19)27-22;1-14-11-17(22)20-18(12-14)30-21(23-20)26-9-7-25(8-10-26)19(27)13-15-3-5-16(6-4-15)24-31(2,28)29;26-19(14-15-3-5-16(6-4-15)17-7-8-17)24-10-12-25(13-11-24)21-23-20-18(27-21)2-1-9-22-20;1-30(27,28)23-15-7-5-14(6-8-15)13-18(26)24-9-11-25(12-10-24)20-22-19-16(21)3-2-4-17(19)29-20/h2-9,19H,10-16H2,1H3;3*2-6,9,14,19H,7-8,10-13,15H2,1H3;1-8,19H,9-16H2;1-8,18H,9-15H2;3-6,11-12,24H,7-10,13H2,1-2H3;1-6,9,17H,7-8,10-14H2;2-8,23H,9-13H2,1H3.
What are the key properties of 1-[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-2-(4-cyclopropylphenyl)ethanone;2-(4-cyclopropylphenyl)-1-[4-(3H-indol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-(1-methylbenzimidazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-(5-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-(6-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone;N-[4-[2-[4-(4-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-oxoethyl]phenyl]methanesulfonamide;N-[4-[2-[4-(4-fluoro-6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-oxoethyl]phenyl]methanesulfonamide?
1-[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-2-(4-cyclopropylphenyl)ethanone;2-(4-cyclopropylphenyl)-1-[4-(3H-indol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-(1-methylbenzimidazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-(5-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-(6-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone;N-[4-[2-[4-(4-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-oxoethyl]phenyl]methanesulfonamide;N-[4-[2-[4-(4-fluoro-6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-oxoethyl]phenyl]methanesulfonamide has a molecular weight of 3511.44 g/mol, XLogP of 31.36, 37 rotatable bonds, 2 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-2-(4-cyclopropylphenyl)ethanone;2-(4-cyclopropylphenyl)-1-[4-(3H-indol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-(1-methylbenzimidazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-(5-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-(6-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone;N-[4-[2-[4-(4-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-oxoethyl]phenyl]methanesulfonamide;N-[4-[2-[4-(4-fluoro-6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-oxoethyl]phenyl]methanesulfonamide is sourced from PubChem (CID 164971056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).