6-bromo-3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-1,2,5-oxadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;6-bromo-3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylthiophen-2-yl)propyl]amino]-1,2,5-oxadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;6-bromo-2-hydroxy-N,N-dimethyl-3-[[4-[[(1R)-1-(5-methylfuran-2-yl)propyl]amino]-1,2,5-oxadiazol-3-yl]amino]benzamide;3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-1,2,5-oxadiazol-3-yl]amino]-2-hydroxy-N,N-dimethyl-6-(trifluoromethyl)benzamide;3-[[4-[[(1R)-1-(furan-2-yl)-2,2-dimethylpropyl]amino]-1,2,5-oxadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;2-hydroxy-N,N-dimethyl-3-[[4-[[(1R)-2-methyl-1-(5-methylthiophen-2-yl)propyl]amino]-1,2,5-oxadiazol-3-yl]amino]-6-(trifluoromethyl)benzamide
C124H149Br3F6N30O22S2 — CID 159831536
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC6-bromo-3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-1,2,5-oxadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;6-bromo-3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylthiophen-2-yl)propyl]amino]-1,2,5-oxadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;6-bromo-2-hydroxy-N,N-dimethyl-3-[[4-[[(1R)-1-(5-methylfuran-2-yl)propyl]amino]-1,2,5-oxadiazol-3-yl]amino]benzamide;3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-1,2,5-oxadiazol-3-yl]amino]-2-hydroxy-N,N-dimethyl-6-(trifluoromethyl)benzamide;3-[[4-[[(1R)-1-(furan-2-yl)-2,2-dimethylpropyl]amino]-1,2,5-oxadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;2-hydroxy-N,N-dimethyl-3-[[4-[[(1R)-2-methyl-1-(5-methylthiophen-2-yl)propyl]amino]-1,2,5-oxadiazol-3-yl]amino]-6-(trifluoromethyl)benzamide
SMILESCC[C@@H](Nc1nonc1Nc1ccc(Br)c(C(=O)N(C)C)c1O)c1ccc(C)o1.CN(C)C(=O)c1cccc(Nc2nonc2N[C@@H](c2ccco2)C(C)(C)C)c1O.Cc1ccc([C@H](Nc2nonc2Nc2ccc(Br)c(C(=O)N(C)C)c2O)C(C)(C)C)o1.Cc1ccc([C@H](Nc2nonc2Nc2ccc(Br)c(C(=O)N(C)C)c2O)C(C)(C)C)s1.Cc1ccc([C@H](Nc2nonc2Nc2ccc(C(F)(F)F)c(C(=O)N(C)C)c2O)C(C)(C)C)o1.Cc1ccc([C@H](Nc2nonc2Nc2ccc(C(F)(F)F)c(C(=O)N(C)C)c2O)C(C)C)s1
InChIInChI=1S/C22H26F3N5O4.C21H26BrN5O4.C21H26BrN5O3S.C21H24F3N5O3S.C20H25N5O4.C19H22BrN5O4/c1-11-7-10-14(33-11)17(21(2,3)4)27-19-18(28-34-29-19)26-13-9-8-12(22(23,24)25)15(16(13)31)20(32)30(5)6;1-11-7-10-14(30-11)17(21(2,3)4)24-19-18(25-31-26-19)23-13-9-8-12(22)15(16(13)28)20(29)27(5)6;1-11-7-10-14(31-11)17(21(2,3)4)24-19-18(25-30-26-19)23-13-9-8-12(22)15(16(13)28)20(29)27(5)6;1-10(2)16(14-9-6-11(3)33-14)26-19-18(27-32-28-19)25-13-8-7-12(21(22,23)24)15(17(13)30)20(31)29(4)5;1-20(2,3)16(14-10-7-11-28-14)22-18-17(23-29-24-18)21-13-9-6-8-12(15(13)26)19(27)25(4)5;1-5-12(14-9-6-10(2)28-14)21-17-18(24-29-23-17)22-13-8-7-11(20)15(16(13)26)19(27)25(3)4/h7-10,17,31H,1-6H3,(H,26,28)(H,27,29);2*7-10,17,28H,1-6H3,(H,23,25)(H,24,26);6-10,16,30H,1-5H3,(H,25,27)(H,26,28);6-11,16,26H,1-5H3,(H,21,23)(H,22,24);6-9,12,26H,5H2,1-4H3,(H,21,23)(H,22,24)/t3*17-;2*16-;12-/m000101/s1
InChIKeyNNNGMBBMHCHBCM-OTBWZSHZSA-N
MW2829.58 g/mol
LogP29.86
Rot. Bonds38
About 6-bromo-3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-1,2,5-oxadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;6-bromo-3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylthiophen-2-yl)propyl]amino]-1,2,5-oxadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;6-bromo-2-hydroxy-N,N-dimethyl-3-[[4-[[(1R)-1-(5-methylfuran-2-yl)propyl]amino]-1,2,5-oxadiazol-3-yl]amino]benzamide;3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-1,2,5-oxadiazol-3-yl]amino]-2-hydroxy-N,N-dimethyl-6-(trifluoromethyl)benzamide;3-[[4-[[(1R)-1-(furan-2-yl)-2,2-dimethylpropyl]amino]-1,2,5-oxadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;2-hydroxy-N,N-dimethyl-3-[[4-[[(1R)-2-methyl-1-(5-methylthiophen-2-yl)propyl]amino]-1,2,5-oxadiazol-3-yl]amino]-6-(trifluoromethyl)benzamide
6-bromo-3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-1,2,5-oxadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;6-bromo-3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylthiophen-2-yl)propyl]amino]-1,2,5-oxadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;6-bromo-2-hydroxy-N,N-dimethyl-3-[[4-[[(1R)-1-(5-methylfuran-2-yl)propyl]amino]-1,2,5-oxadiazol-3-yl]amino]benzamide;3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-1,2,5-oxadiazol-3-yl]amino]-2-hydroxy-N,N-dimethyl-6-(trifluoromethyl)benzamide;3-[[4-[[(1R)-1-(furan-2-yl)-2,2-dimethylpropyl]amino]-1,2,5-oxadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;2-hydroxy-N,N-dimethyl-3-[[4-[[(1R)-2-methyl-1-(5-methylthiophen-2-yl)propyl]amino]-1,2,5-oxadiazol-3-yl]amino]-6-(trifluoromethyl)benzamide (PubChem CID 159831536) has the molecular formula C124H149Br3F6N30O22S2 and a molecular weight of 2829.58 g/mol. Its IUPAC name is 6-bromo-3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-1,2,5-oxadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;6-bromo-3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylthiophen-2-yl)propyl]amino]-1,2,5-oxadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;6-bromo-2-hydroxy-N,N-dimethyl-3-[[4-[[(1R)-1-(5-methylfuran-2-yl)propyl]amino]-1,2,5-oxadiazol-3-yl]amino]benzamide;3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-1,2,5-oxadiazol-3-yl]amino]-2-hydroxy-N,N-dimethyl-6-(trifluoromethyl)benzamide;3-[[4-[[(1R)-1-(furan-2-yl)-2,2-dimethylpropyl]amino]-1,2,5-oxadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;2-hydroxy-N,N-dimethyl-3-[[4-[[(1R)-2-methyl-1-(5-methylthiophen-2-yl)propyl]amino]-1,2,5-oxadiazol-3-yl]amino]-6-(trifluoromethyl)benzamide.
Molecular Properties
| Compound Name | 6-bromo-3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-1,2,5-oxadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;6-bromo-3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylthiophen-2-yl)propyl]amino]-1,2,5-oxadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;6-bromo-2-hydroxy-N,N-dimethyl-3-[[4-[[(1R)-1-(5-methylfuran-2-yl)propyl]amino]-1,2,5-oxadiazol-3-yl]amino]benzamide;3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-1,2,5-oxadiazol-3-yl]amino]-2-hydroxy-N,N-dimethyl-6-(trifluoromethyl)benzamide;3-[[4-[[(1R)-1-(furan-2-yl)-2,2-dimethylpropyl]amino]-1,2,5-oxadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;2-hydroxy-N,N-dimethyl-3-[[4-[[(1R)-2-methyl-1-(5-methylthiophen-2-yl)propyl]amino]-1,2,5-oxadiazol-3-yl]amino]-6-(trifluoromethyl)benzamide |
|---|---|
| PubChem CID | 159831536 |
| Molecular Formula | C124H149Br3F6N30O22S2 |
| Molecular Weight | 2829.58 g/mol |
| Exact Mass | 2824.84 |
| IUPAC Name | 6-bromo-3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-1,2,5-oxadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;6-bromo-3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylthiophen-2-yl)propyl]amino]-1,2,5-oxadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;6-bromo-2-hydroxy-N,N-dimethyl-3-[[4-[[(1R)-1-(5-methylfuran-2-yl)propyl]amino]-1,2,5-oxadiazol-3-yl]amino]benzamide;3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-1,2,5-oxadiazol-3-yl]amino]-2-hydroxy-N,N-dimethyl-6-(trifluoromethyl)benzamide;3-[[4-[[(1R)-1-(furan-2-yl)-2,2-dimethylpropyl]amino]-1,2,5-oxadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;2-hydroxy-N,N-dimethyl-3-[[4-[[(1R)-2-methyl-1-(5-methylthiophen-2-yl)propyl]amino]-1,2,5-oxadiazol-3-yl]amino]-6-(trifluoromethyl)benzamide |
| SMILES | CC[C@@H](Nc1nonc1Nc1ccc(Br)c(C(=O)N(C)C)c1O)c1ccc(C)o1.CN(C)C(=O)c1cccc(Nc2nonc2N[C@@H](c2ccco2)C(C)(C)C)c1O.Cc1ccc([C@H](Nc2nonc2Nc2ccc(Br)c(C(=O)N(C)C)c2O)C(C)(C)C)o1.Cc1ccc([C@H](Nc2nonc2Nc2ccc(Br)c(C(=O)N(C)C)c2O)C(C)(C)C)s1.Cc1ccc([C@H](Nc2nonc2Nc2ccc(C(F)(F)F)c(C(=O)N(C)C)c2O)C(C)(C)C)o1.Cc1ccc([C@H](Nc2nonc2Nc2ccc(C(F)(F)F)c(C(=O)N(C)C)c2O)C(C)C)s1 |
| InChI | InChI=1S/C22H26F3N5O4.C21H26BrN5O4.C21H26BrN5O3S.C21H24F3N5O3S.C20H25N5O4.C19H22BrN5O4/c1-11-7-10-14(33-11)17(21(2,3)4)27-19-18(28-34-29-19)26-13-9-8-12(22(23,24)25)15(16(13)31)20(32)30(5)6;1-11-7-10-14(30-11)17(21(2,3)4)24-19-18(25-31-26-19)23-13-9-8-12(22)15(16(13)28)20(29)27(5)6;1-11-7-10-14(31-11)17(21(2,3)4)24-19-18(25-30-26-19)23-13-9-8-12(22)15(16(13)28)20(29)27(5)6;1-10(2)16(14-9-6-11(3)33-14)26-19-18(27-32-28-19)25-13-8-7-12(21(22,23)24)15(17(13)30)20(31)29(4)5;1-20(2,3)16(14-10-7-11-28-14)22-18-17(23-29-24-18)21-13-9-6-8-12(15(13)26)19(27)25(4)5;1-5-12(14-9-6-10(2)28-14)21-17-18(24-29-23-17)22-13-8-7-11(20)15(16(13)26)19(27)25(3)4/h7-10,17,31H,1-6H3,(H,26,28)(H,27,29);2*7-10,17,28H,1-6H3,(H,23,25)(H,24,26);6-10,16,30H,1-5H3,(H,25,27)(H,26,28);6-11,16,26H,1-5H3,(H,21,23)(H,22,24);6-9,12,26H,5H2,1-4H3,(H,21,23)(H,22,24)/t3*17-;2*16-;12-/m000101/s1 |
| InChIKey | NNNGMBBMHCHBCM-OTBWZSHZSA-N |
| XLogP | 29.86 |
| TPSA | 673.68 Ų |
| H-Bond Donors | 18 |
| H-Bond Acceptors | 48 |
| Rotatable Bonds | 38 |
| Heavy Atoms | 187 |
| Complexity | — |
Lipinski Rule of Five
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2829.58 |
| LogP ≤ 5 | 29.86 |
| H-Bond Donors ≤ 5 | 18 |
| H-Bond Acceptors ≤ 10 | 48 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'catechol', 'substructure': 'N/A'} |
|---|
Frequently Asked Questions
What is the IUPAC name of 6-bromo-3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-1,2,5-oxadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;6-bromo-3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylthiophen-2-yl)propyl]amino]-1,2,5-oxadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;6-bromo-2-hydroxy-N,N-dimethyl-3-[[4-[[(1R)-1-(5-methylfuran-2-yl)propyl]amino]-1,2,5-oxadiazol-3-yl]amino]benzamide;3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-1,2,5-oxadiazol-3-yl]amino]-2-hydroxy-N,N-dimethyl-6-(trifluoromethyl)benzamide;3-[[4-[[(1R)-1-(furan-2-yl)-2,2-dimethylpropyl]amino]-1,2,5-oxadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;2-hydroxy-N,N-dimethyl-3-[[4-[[(1R)-2-methyl-1-(5-methylthiophen-2-yl)propyl]amino]-1,2,5-oxadiazol-3-yl]amino]-6-(trifluoromethyl)benzamide?
The IUPAC name of 6-bromo-3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-1,2,5-oxadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;6-bromo-3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylthiophen-2-yl)propyl]amino]-1,2,5-oxadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;6-bromo-2-hydroxy-N,N-dimethyl-3-[[4-[[(1R)-1-(5-methylfuran-2-yl)propyl]amino]-1,2,5-oxadiazol-3-yl]amino]benzamide;3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-1,2,5-oxadiazol-3-yl]amino]-2-hydroxy-N,N-dimethyl-6-(trifluoromethyl)benzamide;3-[[4-[[(1R)-1-(furan-2-yl)-2,2-dimethylpropyl]amino]-1,2,5-oxadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;2-hydroxy-N,N-dimethyl-3-[[4-[[(1R)-2-methyl-1-(5-methylthiophen-2-yl)propyl]amino]-1,2,5-oxadiazol-3-yl]amino]-6-(trifluoromethyl)benzamide (CID 159831536) is 6-bromo-3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-1,2,5-oxadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;6-bromo-3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylthiophen-2-yl)propyl]amino]-1,2,5-oxadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;6-bromo-2-hydroxy-N,N-dimethyl-3-[[4-[[(1R)-1-(5-methylfuran-2-yl)propyl]amino]-1,2,5-oxadiazol-3-yl]amino]benzamide;3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-1,2,5-oxadiazol-3-yl]amino]-2-hydroxy-N,N-dimethyl-6-(trifluoromethyl)benzamide;3-[[4-[[(1R)-1-(furan-2-yl)-2,2-dimethylpropyl]amino]-1,2,5-oxadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;2-hydroxy-N,N-dimethyl-3-[[4-[[(1R)-2-methyl-1-(5-methylthiophen-2-yl)propyl]amino]-1,2,5-oxadiazol-3-yl]amino]-6-(trifluoromethyl)benzamide.
What is the SMILES notation for 6-bromo-3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-1,2,5-oxadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;6-bromo-3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylthiophen-2-yl)propyl]amino]-1,2,5-oxadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;6-bromo-2-hydroxy-N,N-dimethyl-3-[[4-[[(1R)-1-(5-methylfuran-2-yl)propyl]amino]-1,2,5-oxadiazol-3-yl]amino]benzamide;3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-1,2,5-oxadiazol-3-yl]amino]-2-hydroxy-N,N-dimethyl-6-(trifluoromethyl)benzamide;3-[[4-[[(1R)-1-(furan-2-yl)-2,2-dimethylpropyl]amino]-1,2,5-oxadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;2-hydroxy-N,N-dimethyl-3-[[4-[[(1R)-2-methyl-1-(5-methylthiophen-2-yl)propyl]amino]-1,2,5-oxadiazol-3-yl]amino]-6-(trifluoromethyl)benzamide?
The canonical SMILES for 6-bromo-3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-1,2,5-oxadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;6-bromo-3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylthiophen-2-yl)propyl]amino]-1,2,5-oxadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;6-bromo-2-hydroxy-N,N-dimethyl-3-[[4-[[(1R)-1-(5-methylfuran-2-yl)propyl]amino]-1,2,5-oxadiazol-3-yl]amino]benzamide;3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-1,2,5-oxadiazol-3-yl]amino]-2-hydroxy-N,N-dimethyl-6-(trifluoromethyl)benzamide;3-[[4-[[(1R)-1-(furan-2-yl)-2,2-dimethylpropyl]amino]-1,2,5-oxadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;2-hydroxy-N,N-dimethyl-3-[[4-[[(1R)-2-methyl-1-(5-methylthiophen-2-yl)propyl]amino]-1,2,5-oxadiazol-3-yl]amino]-6-(trifluoromethyl)benzamide is CC[C@@H](Nc1nonc1Nc1ccc(Br)c(C(=O)N(C)C)c1O)c1ccc(C)o1.CN(C)C(=O)c1cccc(Nc2nonc2N[C@@H](c2ccco2)C(C)(C)C)c1O.Cc1ccc([C@H](Nc2nonc2Nc2ccc(Br)c(C(=O)N(C)C)c2O)C(C)(C)C)o1.Cc1ccc([C@H](Nc2nonc2Nc2ccc(Br)c(C(=O)N(C)C)c2O)C(C)(C)C)s1.Cc1ccc([C@H](Nc2nonc2Nc2ccc(C(F)(F)F)c(C(=O)N(C)C)c2O)C(C)(C)C)o1.Cc1ccc([C@H](Nc2nonc2Nc2ccc(C(F)(F)F)c(C(=O)N(C)C)c2O)C(C)C)s1.
What is the InChIKey of 6-bromo-3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-1,2,5-oxadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;6-bromo-3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylthiophen-2-yl)propyl]amino]-1,2,5-oxadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;6-bromo-2-hydroxy-N,N-dimethyl-3-[[4-[[(1R)-1-(5-methylfuran-2-yl)propyl]amino]-1,2,5-oxadiazol-3-yl]amino]benzamide;3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-1,2,5-oxadiazol-3-yl]amino]-2-hydroxy-N,N-dimethyl-6-(trifluoromethyl)benzamide;3-[[4-[[(1R)-1-(furan-2-yl)-2,2-dimethylpropyl]amino]-1,2,5-oxadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;2-hydroxy-N,N-dimethyl-3-[[4-[[(1R)-2-methyl-1-(5-methylthiophen-2-yl)propyl]amino]-1,2,5-oxadiazol-3-yl]amino]-6-(trifluoromethyl)benzamide?
The InChIKey is NNNGMBBMHCHBCM-OTBWZSHZSA-N. The full InChI is InChI=1S/C22H26F3N5O4.C21H26BrN5O4.C21H26BrN5O3S.C21H24F3N5O3S.C20H25N5O4.C19H22BrN5O4/c1-11-7-10-14(33-11)17(21(2,3)4)27-19-18(28-34-29-19)26-13-9-8-12(22(23,24)25)15(16(13)31)20(32)30(5)6;1-11-7-10-14(30-11)17(21(2,3)4)24-19-18(25-31-26-19)23-13-9-8-12(22)15(16(13)28)20(29)27(5)6;1-11-7-10-14(31-11)17(21(2,3)4)24-19-18(25-30-26-19)23-13-9-8-12(22)15(16(13)28)20(29)27(5)6;1-10(2)16(14-9-6-11(3)33-14)26-19-18(27-32-28-19)25-13-8-7-12(21(22,23)24)15(17(13)30)20(31)29(4)5;1-20(2,3)16(14-10-7-11-28-14)22-18-17(23-29-24-18)21-13-9-6-8-12(15(13)26)19(27)25(4)5;1-5-12(14-9-6-10(2)28-14)21-17-18(24-29-23-17)22-13-8-7-11(20)15(16(13)26)19(27)25(3)4/h7-10,17,31H,1-6H3,(H,26,28)(H,27,29);2*7-10,17,28H,1-6H3,(H,23,25)(H,24,26);6-10,16,30H,1-5H3,(H,25,27)(H,26,28);6-11,16,26H,1-5H3,(H,21,23)(H,22,24);6-9,12,26H,5H2,1-4H3,(H,21,23)(H,22,24)/t3*17-;2*16-;12-/m000101/s1.
What are the key properties of 6-bromo-3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-1,2,5-oxadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;6-bromo-3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylthiophen-2-yl)propyl]amino]-1,2,5-oxadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;6-bromo-2-hydroxy-N,N-dimethyl-3-[[4-[[(1R)-1-(5-methylfuran-2-yl)propyl]amino]-1,2,5-oxadiazol-3-yl]amino]benzamide;3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-1,2,5-oxadiazol-3-yl]amino]-2-hydroxy-N,N-dimethyl-6-(trifluoromethyl)benzamide;3-[[4-[[(1R)-1-(furan-2-yl)-2,2-dimethylpropyl]amino]-1,2,5-oxadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;2-hydroxy-N,N-dimethyl-3-[[4-[[(1R)-2-methyl-1-(5-methylthiophen-2-yl)propyl]amino]-1,2,5-oxadiazol-3-yl]amino]-6-(trifluoromethyl)benzamide?
6-bromo-3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-1,2,5-oxadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;6-bromo-3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylthiophen-2-yl)propyl]amino]-1,2,5-oxadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;6-bromo-2-hydroxy-N,N-dimethyl-3-[[4-[[(1R)-1-(5-methylfuran-2-yl)propyl]amino]-1,2,5-oxadiazol-3-yl]amino]benzamide;3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-1,2,5-oxadiazol-3-yl]amino]-2-hydroxy-N,N-dimethyl-6-(trifluoromethyl)benzamide;3-[[4-[[(1R)-1-(furan-2-yl)-2,2-dimethylpropyl]amino]-1,2,5-oxadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;2-hydroxy-N,N-dimethyl-3-[[4-[[(1R)-2-methyl-1-(5-methylthiophen-2-yl)propyl]amino]-1,2,5-oxadiazol-3-yl]amino]-6-(trifluoromethyl)benzamide has a molecular weight of 2829.58 g/mol, XLogP of 29.86, 38 rotatable bonds, 18 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-1,2,5-oxadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;6-bromo-3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylthiophen-2-yl)propyl]amino]-1,2,5-oxadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;6-bromo-2-hydroxy-N,N-dimethyl-3-[[4-[[(1R)-1-(5-methylfuran-2-yl)propyl]amino]-1,2,5-oxadiazol-3-yl]amino]benzamide;3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-1,2,5-oxadiazol-3-yl]amino]-2-hydroxy-N,N-dimethyl-6-(trifluoromethyl)benzamide;3-[[4-[[(1R)-1-(furan-2-yl)-2,2-dimethylpropyl]amino]-1,2,5-oxadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;2-hydroxy-N,N-dimethyl-3-[[4-[[(1R)-2-methyl-1-(5-methylthiophen-2-yl)propyl]amino]-1,2,5-oxadiazol-3-yl]amino]-6-(trifluoromethyl)benzamide is sourced from PubChem (CID 159831536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 159831536 — identifiers, structure, computed properties (public domain)
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