About tert-butyl (2S)-4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methyl]-2-methylpiperazine-1-carboxylate;tert-butyl (2S)-2-methylpiperazine-1-carboxylate;5-cyclopropyl-3-(2,6-dichlorophenyl)-4-[[(3S)-3-methylpiperazin-1-yl]methyl]-1,2-oxazole;2-[(2S)-4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methyl]-2-methylpiperazin-1-yl]-4-methoxy-1,3-benzothiazole-6-carboxamide;2-[(2S)-4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methyl]-2-methylpiperazin-1-yl]-4-methoxy-1,3-benzothiazole-6-carboxylic acid;5-cyclopropyl-3-(3,5-dichloro-4-pyridinyl)-1,2-oxazole-4-carbaldehyde;methane;methyl 2-chloro-4-methoxy-1,3-benzothiazole-6-carboxylate;methyl 2-[(2S)-4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methyl]-2-methylpiperazin-1-yl]-4-methoxy-1,3-benzothiazole-6-carboxylate
tert-butyl (2S)-4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methyl]-2-methylpiperazine-1-carboxylate;tert-butyl (2S)-2-methylpiperazine-1-carboxylate;5-cyclopropyl-3-(2,6-dichlorophenyl)-4-[[(3S)-3-methylpiperazin-1-yl]methyl]-1,2-oxazole;2-[(2S)-4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methyl]-2-methylpiperazin-1-yl]-4-methoxy-1,3-benzothiazole-6-carboxamide;2-[(2S)-4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methyl]-2-methylpiperazin-1-yl]-4-methoxy-1,3-benzothiazole-6-carboxylic acid;5-cyclopropyl-3-(3,5-dichloro-4-pyridinyl)-1,2-oxazole-4-carbaldehyde;methane;methyl 2-chloro-4-methoxy-1,3-benzothiazole-6-carboxylate;methyl 2-[(2S)-4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methyl]-2-methylpiperazin-1-yl]-4-methoxy-1,3-benzothiazole-6-carboxylate (PubChem CID 159317466) has the molecular formula C156H171Cl13N24O22S4
and a molecular weight of 3323.39 g/mol. Its IUPAC name is tert-butyl (2S)-4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methyl]-2-methylpiperazine-1-carboxylate;tert-butyl (2S)-2-methylpiperazine-1-carboxylate;5-cyclopropyl-3-(2,6-dichlorophenyl)-4-[[(3S)-3-methylpiperazin-1-yl]methyl]-1,2-oxazole;2-[(2S)-4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methyl]-2-methylpiperazin-1-yl]-4-methoxy-1,3-benzothiazole-6-carboxamide;2-[(2S)-4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methyl]-2-methylpiperazin-1-yl]-4-methoxy-1,3-benzothiazole-6-carboxylic acid;5-cyclopropyl-3-(3,5-dichloro-4-pyridinyl)-1,2-oxazole-4-carbaldehyde;methane;methyl 2-chloro-4-methoxy-1,3-benzothiazole-6-carboxylate;methyl 2-[(2S)-4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methyl]-2-methylpiperazin-1-yl]-4-methoxy-1,3-benzothiazole-6-carboxylate.
Frequently Asked Questions
What is the IUPAC name of tert-butyl (2S)-4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methyl]-2-methylpiperazine-1-carboxylate;tert-butyl (2S)-2-methylpiperazine-1-carboxylate;5-cyclopropyl-3-(2,6-dichlorophenyl)-4-[[(3S)-3-methylpiperazin-1-yl]methyl]-1,2-oxazole;2-[(2S)-4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methyl]-2-methylpiperazin-1-yl]-4-methoxy-1,3-benzothiazole-6-carboxamide;2-[(2S)-4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methyl]-2-methylpiperazin-1-yl]-4-methoxy-1,3-benzothiazole-6-carboxylic acid;5-cyclopropyl-3-(3,5-dichloro-4-pyridinyl)-1,2-oxazole-4-carbaldehyde;methane;methyl 2-chloro-4-methoxy-1,3-benzothiazole-6-carboxylate;methyl 2-[(2S)-4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methyl]-2-methylpiperazin-1-yl]-4-methoxy-1,3-benzothiazole-6-carboxylate?
The IUPAC name of tert-butyl (2S)-4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methyl]-2-methylpiperazine-1-carboxylate;tert-butyl (2S)-2-methylpiperazine-1-carboxylate;5-cyclopropyl-3-(2,6-dichlorophenyl)-4-[[(3S)-3-methylpiperazin-1-yl]methyl]-1,2-oxazole;2-[(2S)-4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methyl]-2-methylpiperazin-1-yl]-4-methoxy-1,3-benzothiazole-6-carboxamide;2-[(2S)-4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methyl]-2-methylpiperazin-1-yl]-4-methoxy-1,3-benzothiazole-6-carboxylic acid;5-cyclopropyl-3-(3,5-dichloro-4-pyridinyl)-1,2-oxazole-4-carbaldehyde;methane;methyl 2-chloro-4-methoxy-1,3-benzothiazole-6-carboxylate;methyl 2-[(2S)-4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methyl]-2-methylpiperazin-1-yl]-4-methoxy-1,3-benzothiazole-6-carboxylate (CID 159317466) is tert-butyl (2S)-4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methyl]-2-methylpiperazine-1-carboxylate;tert-butyl (2S)-2-methylpiperazine-1-carboxylate;5-cyclopropyl-3-(2,6-dichlorophenyl)-4-[[(3S)-3-methylpiperazin-1-yl]methyl]-1,2-oxazole;2-[(2S)-4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methyl]-2-methylpiperazin-1-yl]-4-methoxy-1,3-benzothiazole-6-carboxamide;2-[(2S)-4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methyl]-2-methylpiperazin-1-yl]-4-methoxy-1,3-benzothiazole-6-carboxylic acid;5-cyclopropyl-3-(3,5-dichloro-4-pyridinyl)-1,2-oxazole-4-carbaldehyde;methane;methyl 2-chloro-4-methoxy-1,3-benzothiazole-6-carboxylate;methyl 2-[(2S)-4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methyl]-2-methylpiperazin-1-yl]-4-methoxy-1,3-benzothiazole-6-carboxylate.
What is the SMILES notation for tert-butyl (2S)-4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methyl]-2-methylpiperazine-1-carboxylate;tert-butyl (2S)-2-methylpiperazine-1-carboxylate;5-cyclopropyl-3-(2,6-dichlorophenyl)-4-[[(3S)-3-methylpiperazin-1-yl]methyl]-1,2-oxazole;2-[(2S)-4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methyl]-2-methylpiperazin-1-yl]-4-methoxy-1,3-benzothiazole-6-carboxamide;2-[(2S)-4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methyl]-2-methylpiperazin-1-yl]-4-methoxy-1,3-benzothiazole-6-carboxylic acid;5-cyclopropyl-3-(3,5-dichloro-4-pyridinyl)-1,2-oxazole-4-carbaldehyde;methane;methyl 2-chloro-4-methoxy-1,3-benzothiazole-6-carboxylate;methyl 2-[(2S)-4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methyl]-2-methylpiperazin-1-yl]-4-methoxy-1,3-benzothiazole-6-carboxylate?
The canonical SMILES for tert-butyl (2S)-4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methyl]-2-methylpiperazine-1-carboxylate;tert-butyl (2S)-2-methylpiperazine-1-carboxylate;5-cyclopropyl-3-(2,6-dichlorophenyl)-4-[[(3S)-3-methylpiperazin-1-yl]methyl]-1,2-oxazole;2-[(2S)-4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methyl]-2-methylpiperazin-1-yl]-4-methoxy-1,3-benzothiazole-6-carboxamide;2-[(2S)-4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methyl]-2-methylpiperazin-1-yl]-4-methoxy-1,3-benzothiazole-6-carboxylic acid;5-cyclopropyl-3-(3,5-dichloro-4-pyridinyl)-1,2-oxazole-4-carbaldehyde;methane;methyl 2-chloro-4-methoxy-1,3-benzothiazole-6-carboxylate;methyl 2-[(2S)-4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methyl]-2-methylpiperazin-1-yl]-4-methoxy-1,3-benzothiazole-6-carboxylate is C.COC(=O)c1cc(OC)c2nc(Cl)sc2c1.COC(=O)c1cc(OC)c2nc(N3CCN(Cc4c(-c5c(Cl)cccc5Cl)noc4C4CC4)C[C@@H]3C)sc2c1.COc1cc(C(=O)O)cc2sc(N3CCN(Cc4c(-c5c(Cl)cccc5Cl)noc4C4CC4)C[C@@H]3C)nc12.COc1cc(C(N)=O)cc2sc(N3CCN(Cc4c(-c5c(Cl)cccc5Cl)noc4C4CC4)C[C@@H]3C)nc12.C[C@H]1CN(Cc2c(-c3c(Cl)cccc3Cl)noc2C2CC2)CCN1.C[C@H]1CN(Cc2c(-c3c(Cl)cccc3Cl)noc2C2CC2)CCN1C(=O)OC(C)(C)C.C[C@H]1CNCCN1C(=O)OC(C)(C)C.O=Cc1c(-c2c(Cl)cncc2Cl)noc1C1CC1.
What is the InChIKey of tert-butyl (2S)-4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methyl]-2-methylpiperazine-1-carboxylate;tert-butyl (2S)-2-methylpiperazine-1-carboxylate;5-cyclopropyl-3-(2,6-dichlorophenyl)-4-[[(3S)-3-methylpiperazin-1-yl]methyl]-1,2-oxazole;2-[(2S)-4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methyl]-2-methylpiperazin-1-yl]-4-methoxy-1,3-benzothiazole-6-carboxamide;2-[(2S)-4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methyl]-2-methylpiperazin-1-yl]-4-methoxy-1,3-benzothiazole-6-carboxylic acid;5-cyclopropyl-3-(3,5-dichloro-4-pyridinyl)-1,2-oxazole-4-carbaldehyde;methane;methyl 2-chloro-4-methoxy-1,3-benzothiazole-6-carboxylate;methyl 2-[(2S)-4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methyl]-2-methylpiperazin-1-yl]-4-methoxy-1,3-benzothiazole-6-carboxylate?
The InChIKey is LDIABVSHBDPZKD-XRHKOXFESA-N. The full InChI is InChI=1S/C28H28Cl2N4O4S.C27H27Cl2N5O3S.C27H26Cl2N4O4S.C23H29Cl2N3O3.C18H21Cl2N3O.C12H8Cl2N2O2.C10H8ClNO3S.C10H20N2O2.CH4/c1-15-13-33(14-18-24(32-38-26(18)16-7-8-16)23-19(29)5-4-6-20(23)30)9-10-34(15)28-31-25-21(36-2)11-17(27(35)37-3)12-22(25)39-28;1-14-12-33(8-9-34(14)27-31-24-20(36-2)10-16(26(30)35)11-21(24)38-27)13-17-23(32-37-25(17)15-6-7-15)22-18(28)4-3-5-19(22)29;1-14-12-32(8-9-33(14)27-30-24-20(36-2)10-16(26(34)35)11-21(24)38-27)13-17-23(31-37-25(17)15-6-7-15)22-18(28)4-3-5-19(22)29;1-14-12-27(10-11-28(14)22(29)30-23(2,3)4)13-16-20(26-31-21(16)15-8-9-15)19-17(24)6-5-7-18(19)25;1-11-9-23(8-7-21-11)10-13-17(22-24-18(13)12-5-6-12)16-14(19)3-2-4-15(16)20;13-8-3-15-4-9(14)10(8)11-7(5-17)12(18-16-11)6-1-2-6;1-14-6-3-5(9(13)15-2)4-7-8(6)12-10(11)16-7;1-8-7-11-5-6-12(8)9(13)14-10(2,3)4;/h4-6,11-12,15-16H,7-10,13-14H2,1-3H3;3-5,10-11,14-15H,6-9,12-13H2,1-2H3,(H2,30,35);3-5,10-11,14-15H,6-9,12-13H2,1-2H3,(H,34,35);5-7,14-15H,8-13H2,1-4H3;2-4,11-12,21H,5-10H2,1H3;3-6H,1-2H2;3-4H,1-2H3;8,11H,5-7H2,1-4H3;1H4/t15-;3*14-;11-;;;8-;/m00000..0./s1.
What are the key properties of tert-butyl (2S)-4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methyl]-2-methylpiperazine-1-carboxylate;tert-butyl (2S)-2-methylpiperazine-1-carboxylate;5-cyclopropyl-3-(2,6-dichlorophenyl)-4-[[(3S)-3-methylpiperazin-1-yl]methyl]-1,2-oxazole;2-[(2S)-4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methyl]-2-methylpiperazin-1-yl]-4-methoxy-1,3-benzothiazole-6-carboxamide;2-[(2S)-4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methyl]-2-methylpiperazin-1-yl]-4-methoxy-1,3-benzothiazole-6-carboxylic acid;5-cyclopropyl-3-(3,5-dichloro-4-pyridinyl)-1,2-oxazole-4-carbaldehyde;methane;methyl 2-chloro-4-methoxy-1,3-benzothiazole-6-carboxylate;methyl 2-[(2S)-4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methyl]-2-methylpiperazin-1-yl]-4-methoxy-1,3-benzothiazole-6-carboxylate?
tert-butyl (2S)-4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methyl]-2-methylpiperazine-1-carboxylate;tert-butyl (2S)-2-methylpiperazine-1-carboxylate;5-cyclopropyl-3-(2,6-dichlorophenyl)-4-[[(3S)-3-methylpiperazin-1-yl]methyl]-1,2-oxazole;2-[(2S)-4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methyl]-2-methylpiperazin-1-yl]-4-methoxy-1,3-benzothiazole-6-carboxamide;2-[(2S)-4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methyl]-2-methylpiperazin-1-yl]-4-methoxy-1,3-benzothiazole-6-carboxylic acid;5-cyclopropyl-3-(3,5-dichloro-4-pyridinyl)-1,2-oxazole-4-carbaldehyde;methane;methyl 2-chloro-4-methoxy-1,3-benzothiazole-6-carboxylate;methyl 2-[(2S)-4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methyl]-2-methylpiperazin-1-yl]-4-methoxy-1,3-benzothiazole-6-carboxylate has a molecular weight of 3323.39 g/mol, XLogP of 37.76, 34 rotatable bonds, 4 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methyl]-2-methylpiperazine-1-carboxylate;tert-butyl (2S)-2-methylpiperazine-1-carboxylate;5-cyclopropyl-3-(2,6-dichlorophenyl)-4-[[(3S)-3-methylpiperazin-1-yl]methyl]-1,2-oxazole;2-[(2S)-4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methyl]-2-methylpiperazin-1-yl]-4-methoxy-1,3-benzothiazole-6-carboxamide;2-[(2S)-4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methyl]-2-methylpiperazin-1-yl]-4-methoxy-1,3-benzothiazole-6-carboxylic acid;5-cyclopropyl-3-(3,5-dichloro-4-pyridinyl)-1,2-oxazole-4-carbaldehyde;methane;methyl 2-chloro-4-methoxy-1,3-benzothiazole-6-carboxylate;methyl 2-[(2S)-4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methyl]-2-methylpiperazin-1-yl]-4-methoxy-1,3-benzothiazole-6-carboxylate is sourced from PubChem (CID 159317466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).