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

C189H211FN26O12S2 — CID 165093320

IUPAC1-[4-(1,3-benzoxazol-2-yl)-2-methylpiperazin-1-yl]-2-(4-cyclopropylphenyl)ethanone;2-(4-cyclopropylphenyl)-1-[4-(4-fluoro-6-methyl-1,3-benzothiazol-2-yl)-2-methylpiperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-(3H-indol-2-yl)-2-methylpiperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[2-methyl-4-(1-methylbenzimidazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[2-methyl-4-(5-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[2-methyl-4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[2-methyl-4-(6-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[2-methyl-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone
SMILESCC1CN(C2=Nc3ccccc3C2)CCN1C(=O)Cc1ccc(C2CC2)cc1.CC1CN(c2nc3ccccc3n2C)CCN1C(=O)Cc1ccc(C2CC2)cc1.CC1CN(c2nc3ccccc3o2)CCN1C(=O)Cc1ccc(C2CC2)cc1.CC1CN(c2nc3ncccc3o2)CCN1C(=O)Cc1ccc(C2CC2)cc1.Cc1cc(F)c2nc(N3CCN(C(=O)Cc4ccc(C5CC5)cc4)C(C)C3)sc2c1.Cc1ccc2nc(N3CCN(C(=O)Cc4ccc(C5CC5)cc4)C(C)C3)oc2c1.Cc1ccc2oc(N3CCN(C(=O)Cc4ccc(C5CC5)cc4)C(C)C3)nc2c1.Cc1ccc2sc(N3CCN(C(=O)Cc4ccc(C5CC5)cc4)C(C)C3)nc2c1
InChIInChI=1S/C24H26FN3OS.C24H28N4O.2C24H27N3O2.C24H27N3OS.C24H27N3O.C23H25N3O2.C22H24N4O2/c1-15-11-20(25)23-21(12-15)30-24(26-23)27-9-10-28(16(2)14-27)22(29)13-17-3-5-18(6-4-17)19-7-8-19;1-17-16-27(24-25-21-5-3-4-6-22(21)26(24)2)13-14-28(17)23(29)15-18-7-9-19(10-8-18)20-11-12-20;1-16-3-10-22-21(13-16)25-24(29-22)26-11-12-27(17(2)15-26)23(28)14-18-4-6-19(7-5-18)20-8-9-20;1-16-3-10-21-22(13-16)29-24(25-21)26-11-12-27(17(2)15-26)23(28)14-18-4-6-19(7-5-18)20-8-9-20;1-16-3-10-22-21(13-16)25-24(29-22)26-11-12-27(17(2)15-26)23(28)14-18-4-6-19(7-5-18)20-8-9-20;1-17-16-26(23-15-21-4-2-3-5-22(21)25-23)12-13-27(17)24(28)14-18-6-8-19(9-7-18)20-10-11-20;1-16-15-25(23-24-20-4-2-3-5-21(20)28-23)12-13-26(16)22(27)14-17-6-8-18(9-7-17)19-10-11-19;1-15-14-25(22-24-21-19(28-22)3-2-10-23-21)11-12-26(15)20(27)13-16-4-6-17(7-5-16)18-8-9-18/h3-6,11-12,16,19H,7-10,13-14H2,1-2H3;3-10,17,20H,11-16H2,1-2H3;3*3-7,10,13,17,20H,8-9,11-12,14-15H2,1-2H3;2-9,17,20H,10-16H2,1H3;2-9,16,19H,10-15H2,1H3;2-7,10,15,18H,8-9,11-14H2,1H3
InChIKeyXBVDKZGAPBHPJU-UHFFFAOYSA-N
MW3122.07 g/mol
LogP33.27
Rot. Bonds31

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

1-[4-(1,3-benzoxazol-2-yl)-2-methylpiperazin-1-yl]-2-(4-cyclopropylphenyl)ethanone;2-(4-cyclopropylphenyl)-1-[4-(4-fluoro-6-methyl-1,3-benzothiazol-2-yl)-2-methylpiperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-(3H-indol-2-yl)-2-methylpiperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[2-methyl-4-(1-methylbenzimidazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[2-methyl-4-(5-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[2-methyl-4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[2-methyl-4-(6-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[2-methyl-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone (PubChem CID 165093320) has the molecular formula C189H211FN26O12S2 and a molecular weight of 3122.07 g/mol. Its IUPAC name is 1-[4-(1,3-benzoxazol-2-yl)-2-methylpiperazin-1-yl]-2-(4-cyclopropylphenyl)ethanone;2-(4-cyclopropylphenyl)-1-[4-(4-fluoro-6-methyl-1,3-benzothiazol-2-yl)-2-methylpiperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-(3H-indol-2-yl)-2-methylpiperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[2-methyl-4-(1-methylbenzimidazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[2-methyl-4-(5-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[2-methyl-4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[2-methyl-4-(6-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[2-methyl-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(1,3-benzoxazol-2-yl)-2-methylpiperazin-1-yl]-2-(4-cyclopropylphenyl)ethanone;2-(4-cyclopropylphenyl)-1-[4-(4-fluoro-6-methyl-1,3-benzothiazol-2-yl)-2-methylpiperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-(3H-indol-2-yl)-2-methylpiperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[2-methyl-4-(1-methylbenzimidazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[2-methyl-4-(5-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[2-methyl-4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[2-methyl-4-(6-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[2-methyl-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone
PubChem CID165093320
Molecular FormulaC189H211FN26O12S2
Molecular Weight3122.07 g/mol
Exact Mass3119.61
IUPAC Name1-[4-(1,3-benzoxazol-2-yl)-2-methylpiperazin-1-yl]-2-(4-cyclopropylphenyl)ethanone;2-(4-cyclopropylphenyl)-1-[4-(4-fluoro-6-methyl-1,3-benzothiazol-2-yl)-2-methylpiperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-(3H-indol-2-yl)-2-methylpiperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[2-methyl-4-(1-methylbenzimidazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[2-methyl-4-(5-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[2-methyl-4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[2-methyl-4-(6-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[2-methyl-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone
SMILESCC1CN(C2=Nc3ccccc3C2)CCN1C(=O)Cc1ccc(C2CC2)cc1.CC1CN(c2nc3ccccc3n2C)CCN1C(=O)Cc1ccc(C2CC2)cc1.CC1CN(c2nc3ccccc3o2)CCN1C(=O)Cc1ccc(C2CC2)cc1.CC1CN(c2nc3ncccc3o2)CCN1C(=O)Cc1ccc(C2CC2)cc1.Cc1cc(F)c2nc(N3CCN(C(=O)Cc4ccc(C5CC5)cc4)C(C)C3)sc2c1.Cc1ccc2nc(N3CCN(C(=O)Cc4ccc(C5CC5)cc4)C(C)C3)oc2c1.Cc1ccc2oc(N3CCN(C(=O)Cc4ccc(C5CC5)cc4)C(C)C3)nc2c1.Cc1ccc2sc(N3CCN(C(=O)Cc4ccc(C5CC5)cc4)C(C)C3)nc2c1
InChIInChI=1S/C24H26FN3OS.C24H28N4O.2C24H27N3O2.C24H27N3OS.C24H27N3O.C23H25N3O2.C22H24N4O2/c1-15-11-20(25)23-21(12-15)30-24(26-23)27-9-10-28(16(2)14-27)22(29)13-17-3-5-18(6-4-17)19-7-8-19;1-17-16-27(24-25-21-5-3-4-6-22(21)26(24)2)13-14-28(17)23(29)15-18-7-9-19(10-8-18)20-11-12-20;1-16-3-10-22-21(13-16)25-24(29-22)26-11-12-27(17(2)15-26)23(28)14-18-4-6-19(7-5-18)20-8-9-20;1-16-3-10-21-22(13-16)29-24(25-21)26-11-12-27(17(2)15-26)23(28)14-18-4-6-19(7-5-18)20-8-9-20;1-16-3-10-22-21(13-16)25-24(29-22)26-11-12-27(17(2)15-26)23(28)14-18-4-6-19(7-5-18)20-8-9-20;1-17-16-26(23-15-21-4-2-3-5-22(21)25-23)12-13-27(17)24(28)14-18-6-8-19(9-7-18)20-10-11-20;1-16-15-25(23-24-20-4-2-3-5-21(20)28-23)12-13-26(16)22(27)14-17-6-8-18(9-7-17)19-10-11-19;1-15-14-25(22-24-21-19(28-22)3-2-10-23-21)11-12-26(15)20(27)13-16-4-6-17(7-5-16)18-8-9-18/h3-6,11-12,16,19H,7-10,13-14H2,1-2H3;3-10,17,20H,11-16H2,1-2H3;3*3-7,10,13,17,20H,8-9,11-12,14-15H2,1-2H3;2-9,17,20H,10-16H2,1H3;2-9,16,19H,10-15H2,1H3;2-7,10,15,18H,8-9,11-14H2,1H3
InChIKeyXBVDKZGAPBHPJU-UHFFFAOYSA-N
XLogP33.27
TPSA361.37 Ų
H-Bond Donors
H-Bond Acceptors32
Rotatable Bonds31
Heavy Atoms230
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003122.07
LogP ≤ 533.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1032

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

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Related Compounds

2-[3-(10b,10c-Dihydropyren-4-yl)-5-pyridin-3-ylphenyl]-1,3-benzothiazole;2-[3-(10b,10c-dihydropyren-4-yl)-5-pyridin-3-ylphenyl]-1,3-benzothiazole-6-carbonitrile;5-[6-(1-phenylbenzimidazol-2-yl)-2-pyridin-3-ylpyrimidin-4-yl]-1,10-phenanthroline;2-(4-pyridin-3-yl-6-pyrimidin-2-yl-1,3,5-triazin-2-yl)-6-(trifluoromethyl)-1,3-benzoxazole
CID 157769145
2,5-Dimethyl-1,3-benzothiazole;1-methoxy-4-methylbenzene;5-methyl-1,3-benzothiazole;3-methyl-1-benzothiophene;5-methyl-2,1,3-benzoxadiazole;2-methyl-1,3-benzoxazole;3-methyl-5-phenyl-1,2,4-oxadiazole;2-methylpyrazine;2-methylpyrimidine;2-methyl-[1,3]thiazolo[5,4-b]pyridine;2-methyl-4-thiophen-2-ylpyrimidine;2-methyl-5-(trifluoromethyl)pyridine
CID 158298930
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;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;2,2,2-trifluoro-1-(3-methylphenyl)ethanone
CID 158821818
2-[3-(10b,10c-Dihydropyren-4-yl)-5-pyridin-3-ylphenyl]-1,3-benzothiazole;5-[6-(1-phenylbenzimidazol-2-yl)-2-pyridin-3-ylpyrimidin-4-yl]-1,10-phenanthroline;2-(4-pyridin-3-yl-6-pyrimidin-2-yl-1,3,5-triazin-2-yl)-1,3-benzoxazole;2-(4-pyridin-3-yl-6-pyrimidin-2-yl-1,3,5-triazin-2-yl)-6-(trifluoromethyl)-1,3-benzoxazole
CID 160449291
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;6-methyl-2-phenyl-1,3-benzoxazole;1-(4-methylphenyl)ethanone;9-methylpyrido[2,3-b]indole;8-methyl-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 160688113
2-[3-(10b,10c-Dihydropyren-4-yl)-5-pyridin-3-ylphenyl]-1,3-benzothiazole-6-carbonitrile;2-[6-(1,10-phenanthrolin-5-yl)-2-pyridin-3-ylpyrimidin-4-yl]-3-phenylbenzimidazole-5-carbonitrile;5-[6-(1-phenylbenzimidazol-2-yl)-2-pyridin-3-ylpyrimidin-4-yl]-1,10-phenanthroline;2-(4-pyridin-3-yl-6-pyrimidin-2-yl-1,3,5-triazin-2-yl)-6-(trifluoromethyl)-1,3-benzoxazole
CID 162122198
1-[4-(1,3-Benzothiazol-2-yl)-2-methylpiperazin-1-yl]-2-(4-cyclopropylphenyl)ethanone;2-(4-cyclopropyl-3-fluorophenyl)-1-[4-[6-(1,1-difluoroethyl)pyridazin-3-yl]piperazin-1-yl]ethanone;2-(4-cyclopropyl-3-fluorophenyl)-1-[4-(5-ethynylpyrazin-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-[6-(1,1-difluoroethyl)pyridazin-3-yl]-2-methylpiperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-(5-ethynylpyrazin-2-yl)-2-methylpiperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-(4-fluoro-1,3-benzothiazol-2-yl)-2-methylpiperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[2-methyl-4-(6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[2-methyl-4-([1,3]oxazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[2-methyl-4-([1,3]thiazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone
CID 165069485
CID 157059656
CID 157059656
2-[6-(1,3-Benzothiazol-2-yl)-3,8-bis(9,9-dimethylacridin-10-yl)phenanthren-1-yl]-1,3-benzothiazole;2-[6-(1,3-benzoxazol-2-yl)-3,8-bis(9,9-dimethylacridin-10-yl)phenanthren-1-yl]-1,3-benzoxazole;2-[1,6-bis(9,9-dimethylacridin-10-yl)-8-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenanthren-3-yl]-[1,3]oxazolo[5,4-b]pyridine;10-[6-(9,9-dimethylacridin-10-yl)-3,8-bis(1-phenylbenzimidazol-2-yl)phenanthren-1-yl]-9,9-dimethylacridine
CID 157063066
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;6-tert-butyl-2-propan-2-ylindazole;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)indazole;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 157072823
5-[3-Benzo[g]quinolin-10-yl-5-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-1,10-phenanthroline;2-[10-[3-benzo[h]quinolin-5-yl-5-(3,5-dipyridin-3-ylphenyl)phenyl]anthracen-9-yl]-1,3-benzothiazole;2-[4-[4-phenanthren-9-yl-6-(3-phenylquinoxalin-2-yl)-2-pyridinyl]naphthalen-1-yl]-[1,3]oxazolo[4,5-b]pyridine
CID 157146699
1-Methyl-2-(4-triphenylen-2-ylphenyl)benzimidazole;1-methyl-6-(4-triphenylen-2-ylphenyl)benzimidazole;1-methyl-6-(6-triphenylen-2-yl-2-pyridinyl)benzimidazole;6-(4-triphenylen-2-ylphenyl)-1,3-benzothiazole;2-(4-triphenylen-2-ylphenyl)-1,3-benzoxazole;6-(4-triphenylen-2-ylphenyl)-1,3-benzoxazole;6-(6-triphenylen-2-yl-2-pyridinyl)-1,3-benzoxazole
CID 157161000

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1,3-benzoxazol-2-yl)-2-methylpiperazin-1-yl]-2-(4-cyclopropylphenyl)ethanone;2-(4-cyclopropylphenyl)-1-[4-(4-fluoro-6-methyl-1,3-benzothiazol-2-yl)-2-methylpiperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-(3H-indol-2-yl)-2-methylpiperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[2-methyl-4-(1-methylbenzimidazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[2-methyl-4-(5-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[2-methyl-4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[2-methyl-4-(6-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[2-methyl-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-(1,3-benzoxazol-2-yl)-2-methylpiperazin-1-yl]-2-(4-cyclopropylphenyl)ethanone;2-(4-cyclopropylphenyl)-1-[4-(4-fluoro-6-methyl-1,3-benzothiazol-2-yl)-2-methylpiperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-(3H-indol-2-yl)-2-methylpiperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[2-methyl-4-(1-methylbenzimidazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[2-methyl-4-(5-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[2-methyl-4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[2-methyl-4-(6-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[2-methyl-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone (CID 165093320) is 1-[4-(1,3-benzoxazol-2-yl)-2-methylpiperazin-1-yl]-2-(4-cyclopropylphenyl)ethanone;2-(4-cyclopropylphenyl)-1-[4-(4-fluoro-6-methyl-1,3-benzothiazol-2-yl)-2-methylpiperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-(3H-indol-2-yl)-2-methylpiperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[2-methyl-4-(1-methylbenzimidazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[2-methyl-4-(5-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[2-methyl-4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[2-methyl-4-(6-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[2-methyl-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(1,3-benzoxazol-2-yl)-2-methylpiperazin-1-yl]-2-(4-cyclopropylphenyl)ethanone;2-(4-cyclopropylphenyl)-1-[4-(4-fluoro-6-methyl-1,3-benzothiazol-2-yl)-2-methylpiperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-(3H-indol-2-yl)-2-methylpiperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[2-methyl-4-(1-methylbenzimidazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[2-methyl-4-(5-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[2-methyl-4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[2-methyl-4-(6-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[2-methyl-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-(1,3-benzoxazol-2-yl)-2-methylpiperazin-1-yl]-2-(4-cyclopropylphenyl)ethanone;2-(4-cyclopropylphenyl)-1-[4-(4-fluoro-6-methyl-1,3-benzothiazol-2-yl)-2-methylpiperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-(3H-indol-2-yl)-2-methylpiperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[2-methyl-4-(1-methylbenzimidazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[2-methyl-4-(5-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[2-methyl-4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[2-methyl-4-(6-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[2-methyl-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone is CC1CN(C2=Nc3ccccc3C2)CCN1C(=O)Cc1ccc(C2CC2)cc1.CC1CN(c2nc3ccccc3n2C)CCN1C(=O)Cc1ccc(C2CC2)cc1.CC1CN(c2nc3ccccc3o2)CCN1C(=O)Cc1ccc(C2CC2)cc1.CC1CN(c2nc3ncccc3o2)CCN1C(=O)Cc1ccc(C2CC2)cc1.Cc1cc(F)c2nc(N3CCN(C(=O)Cc4ccc(C5CC5)cc4)C(C)C3)sc2c1.Cc1ccc2nc(N3CCN(C(=O)Cc4ccc(C5CC5)cc4)C(C)C3)oc2c1.Cc1ccc2oc(N3CCN(C(=O)Cc4ccc(C5CC5)cc4)C(C)C3)nc2c1.Cc1ccc2sc(N3CCN(C(=O)Cc4ccc(C5CC5)cc4)C(C)C3)nc2c1.
What is the InChIKey of 1-[4-(1,3-benzoxazol-2-yl)-2-methylpiperazin-1-yl]-2-(4-cyclopropylphenyl)ethanone;2-(4-cyclopropylphenyl)-1-[4-(4-fluoro-6-methyl-1,3-benzothiazol-2-yl)-2-methylpiperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-(3H-indol-2-yl)-2-methylpiperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[2-methyl-4-(1-methylbenzimidazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[2-methyl-4-(5-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[2-methyl-4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[2-methyl-4-(6-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[2-methyl-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone?
The InChIKey is XBVDKZGAPBHPJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN3OS.C24H28N4O.2C24H27N3O2.C24H27N3OS.C24H27N3O.C23H25N3O2.C22H24N4O2/c1-15-11-20(25)23-21(12-15)30-24(26-23)27-9-10-28(16(2)14-27)22(29)13-17-3-5-18(6-4-17)19-7-8-19;1-17-16-27(24-25-21-5-3-4-6-22(21)26(24)2)13-14-28(17)23(29)15-18-7-9-19(10-8-18)20-11-12-20;1-16-3-10-22-21(13-16)25-24(29-22)26-11-12-27(17(2)15-26)23(28)14-18-4-6-19(7-5-18)20-8-9-20;1-16-3-10-21-22(13-16)29-24(25-21)26-11-12-27(17(2)15-26)23(28)14-18-4-6-19(7-5-18)20-8-9-20;1-16-3-10-22-21(13-16)25-24(29-22)26-11-12-27(17(2)15-26)23(28)14-18-4-6-19(7-5-18)20-8-9-20;1-17-16-26(23-15-21-4-2-3-5-22(21)25-23)12-13-27(17)24(28)14-18-6-8-19(9-7-18)20-10-11-20;1-16-15-25(23-24-20-4-2-3-5-21(20)28-23)12-13-26(16)22(27)14-17-6-8-18(9-7-17)19-10-11-19;1-15-14-25(22-24-21-19(28-22)3-2-10-23-21)11-12-26(15)20(27)13-16-4-6-17(7-5-16)18-8-9-18/h3-6,11-12,16,19H,7-10,13-14H2,1-2H3;3-10,17,20H,11-16H2,1-2H3;3*3-7,10,13,17,20H,8-9,11-12,14-15H2,1-2H3;2-9,17,20H,10-16H2,1H3;2-9,16,19H,10-15H2,1H3;2-7,10,15,18H,8-9,11-14H2,1H3.
What are the key properties of 1-[4-(1,3-benzoxazol-2-yl)-2-methylpiperazin-1-yl]-2-(4-cyclopropylphenyl)ethanone;2-(4-cyclopropylphenyl)-1-[4-(4-fluoro-6-methyl-1,3-benzothiazol-2-yl)-2-methylpiperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-(3H-indol-2-yl)-2-methylpiperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[2-methyl-4-(1-methylbenzimidazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[2-methyl-4-(5-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[2-methyl-4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[2-methyl-4-(6-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[2-methyl-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone?
1-[4-(1,3-benzoxazol-2-yl)-2-methylpiperazin-1-yl]-2-(4-cyclopropylphenyl)ethanone;2-(4-cyclopropylphenyl)-1-[4-(4-fluoro-6-methyl-1,3-benzothiazol-2-yl)-2-methylpiperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-(3H-indol-2-yl)-2-methylpiperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[2-methyl-4-(1-methylbenzimidazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[2-methyl-4-(5-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[2-methyl-4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[2-methyl-4-(6-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[2-methyl-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone has a molecular weight of 3122.07 g/mol, XLogP of 33.27, 31 rotatable bonds, 0 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1,3-benzoxazol-2-yl)-2-methylpiperazin-1-yl]-2-(4-cyclopropylphenyl)ethanone;2-(4-cyclopropylphenyl)-1-[4-(4-fluoro-6-methyl-1,3-benzothiazol-2-yl)-2-methylpiperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-(3H-indol-2-yl)-2-methylpiperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[2-methyl-4-(1-methylbenzimidazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[2-methyl-4-(5-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[2-methyl-4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[2-methyl-4-(6-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[2-methyl-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 165093320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).