1-[3-chloro-5-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-(3,5-dimethyl-2H-pyrrol-4-yl)-5-methylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[4-chloro-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-[(2-methyloxan-4-yl)methyl]pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[(3-fluoro-3-methylcyclopentyl)methyl]-5-methylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;ethyl 4-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-5-methylpyrimidin-4-yl]methyl]-2-methylpiperidine-1-carboxylate;methyl 4-[[2-[3-chloro-5-[2-hydroxy-3-(methylamino)propoxy]phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-4-yl]methyl]piperidine-1-carboxylate
C138H177Cl3FN23O20 — CID 157051067
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC1-[3-chloro-5-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-(3,5-dimethyl-2H-pyrrol-4-yl)-5-methylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[4-chloro-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-[(2-methyloxan-4-yl)methyl]pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[(3-fluoro-3-methylcyclopentyl)methyl]-5-methylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;ethyl 4-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-5-methylpyrimidin-4-yl]methyl]-2-methylpiperidine-1-carboxylate;methyl 4-[[2-[3-chloro-5-[2-hydroxy-3-(methylamino)propoxy]phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-4-yl]methyl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(Cc2nc(-c3cccc(OCC(O)CNC)c3)nc(-c3c(C)noc3C)c2C)CC1C.CNCC(O)COc1cc(Cl)cc(-c2nc(C3=C(C)CN=C3C)c(C)c(-c3c(C)noc3C)n2)c1.CNCC(O)COc1cc(Cl)cc(-c2nc(CC3CCN(C(=O)OC)CC3)c(C)c(-c3c(C)noc3C)n2)c1.CNCC(O)COc1ccc(Cl)c(-c2nc(CC3CCOC(C)C3)c(C)c(-c3c(C)noc3C)n2)c1.CNCC(O)COc1cccc(-c2nc(CC3CCC(C)(F)C3)c(C)c(-c3c(C)noc3C)n2)c1
InChIInChI=1S/C30H41N5O5.C28H36ClN5O5.C27H35ClN4O4.C27H35FN4O3.C26H30ClN5O3/c1-7-38-30(37)35-12-11-22(13-18(35)2)14-26-19(3)28(27-20(4)34-40-21(27)5)33-29(32-26)23-9-8-10-25(15-23)39-17-24(36)16-31-6;1-16-24(10-19-6-8-34(9-7-19)28(36)37-5)31-27(32-26(16)25-17(2)33-39-18(25)3)20-11-21(29)13-23(12-20)38-15-22(35)14-30-4;1-15-10-19(8-9-34-15)11-24-16(2)26(25-17(3)32-36-18(25)4)31-27(30-24)22-12-21(6-7-23(22)28)35-14-20(33)13-29-5;1-16-23(11-19-9-10-27(4,28)13-19)30-26(31-25(16)24-17(2)32-35-18(24)3)20-7-6-8-22(12-20)34-15-21(33)14-29-5;1-13-10-29-15(3)22(13)24-14(2)25(23-16(4)32-35-17(23)5)31-26(30-24)18-7-19(27)9-21(8-18)34-12-20(33)11-28-6/h8-10,15,18,22,24,31,36H,7,11-14,16-17H2,1-6H3;11-13,19,22,30,35H,6-10,14-15H2,1-5H3;6-7,12,15,19-20,29,33H,8-11,13-14H2,1-5H3;6-8,12,19,21,29,33H,9-11,13-15H2,1-5H3;7-9,20,28,33H,10-12H2,1-6H3
InChIKeyAAFCQRYFUBTFRS-UHFFFAOYSA-N
MW2603.43 g/mol
LogP22.87
Rot. Bonds45
About 1-[3-chloro-5-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-(3,5-dimethyl-2H-pyrrol-4-yl)-5-methylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[4-chloro-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-[(2-methyloxan-4-yl)methyl]pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[(3-fluoro-3-methylcyclopentyl)methyl]-5-methylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;ethyl 4-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-5-methylpyrimidin-4-yl]methyl]-2-methylpiperidine-1-carboxylate;methyl 4-[[2-[3-chloro-5-[2-hydroxy-3-(methylamino)propoxy]phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-4-yl]methyl]piperidine-1-carboxylate
1-[3-chloro-5-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-(3,5-dimethyl-2H-pyrrol-4-yl)-5-methylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[4-chloro-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-[(2-methyloxan-4-yl)methyl]pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[(3-fluoro-3-methylcyclopentyl)methyl]-5-methylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;ethyl 4-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-5-methylpyrimidin-4-yl]methyl]-2-methylpiperidine-1-carboxylate;methyl 4-[[2-[3-chloro-5-[2-hydroxy-3-(methylamino)propoxy]phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-4-yl]methyl]piperidine-1-carboxylate (PubChem CID 157051067) has the molecular formula C138H177Cl3FN23O20 and a molecular weight of 2603.43 g/mol. Its IUPAC name is 1-[3-chloro-5-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-(3,5-dimethyl-2H-pyrrol-4-yl)-5-methylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[4-chloro-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-[(2-methyloxan-4-yl)methyl]pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[(3-fluoro-3-methylcyclopentyl)methyl]-5-methylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;ethyl 4-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-5-methylpyrimidin-4-yl]methyl]-2-methylpiperidine-1-carboxylate;methyl 4-[[2-[3-chloro-5-[2-hydroxy-3-(methylamino)propoxy]phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-4-yl]methyl]piperidine-1-carboxylate.
Molecular Properties
| Compound Name | 1-[3-chloro-5-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-(3,5-dimethyl-2H-pyrrol-4-yl)-5-methylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[4-chloro-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-[(2-methyloxan-4-yl)methyl]pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[(3-fluoro-3-methylcyclopentyl)methyl]-5-methylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;ethyl 4-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-5-methylpyrimidin-4-yl]methyl]-2-methylpiperidine-1-carboxylate;methyl 4-[[2-[3-chloro-5-[2-hydroxy-3-(methylamino)propoxy]phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-4-yl]methyl]piperidine-1-carboxylate |
|---|---|
| PubChem CID | 157051067 |
| Molecular Formula | C138H177Cl3FN23O20 |
| Molecular Weight | 2603.43 g/mol |
| Exact Mass | 2600.26 |
| IUPAC Name | 1-[3-chloro-5-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-(3,5-dimethyl-2H-pyrrol-4-yl)-5-methylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[4-chloro-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-[(2-methyloxan-4-yl)methyl]pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[(3-fluoro-3-methylcyclopentyl)methyl]-5-methylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;ethyl 4-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-5-methylpyrimidin-4-yl]methyl]-2-methylpiperidine-1-carboxylate;methyl 4-[[2-[3-chloro-5-[2-hydroxy-3-(methylamino)propoxy]phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-4-yl]methyl]piperidine-1-carboxylate |
| SMILES | CCOC(=O)N1CCC(Cc2nc(-c3cccc(OCC(O)CNC)c3)nc(-c3c(C)noc3C)c2C)CC1C.CNCC(O)COc1cc(Cl)cc(-c2nc(C3=C(C)CN=C3C)c(C)c(-c3c(C)noc3C)n2)c1.CNCC(O)COc1cc(Cl)cc(-c2nc(CC3CCN(C(=O)OC)CC3)c(C)c(-c3c(C)noc3C)n2)c1.CNCC(O)COc1ccc(Cl)c(-c2nc(CC3CCOC(C)C3)c(C)c(-c3c(C)noc3C)n2)c1.CNCC(O)COc1cccc(-c2nc(CC3CCC(C)(F)C3)c(C)c(-c3c(C)noc3C)n2)c1 |
| InChI | InChI=1S/C30H41N5O5.C28H36ClN5O5.C27H35ClN4O4.C27H35FN4O3.C26H30ClN5O3/c1-7-38-30(37)35-12-11-22(13-18(35)2)14-26-19(3)28(27-20(4)34-40-21(27)5)33-29(32-26)23-9-8-10-25(15-23)39-17-24(36)16-31-6;1-16-24(10-19-6-8-34(9-7-19)28(36)37-5)31-27(32-26(16)25-17(2)33-39-18(25)3)20-11-21(29)13-23(12-20)38-15-22(35)14-30-4;1-15-10-19(8-9-34-15)11-24-16(2)26(25-17(3)32-36-18(25)4)31-27(30-24)22-12-21(6-7-23(22)28)35-14-20(33)13-29-5;1-16-23(11-19-9-10-27(4,28)13-19)30-26(31-25(16)24-17(2)32-35-18(24)3)20-7-6-8-22(12-20)34-15-21(33)14-29-5;1-13-10-29-15(3)22(13)24-14(2)25(23-16(4)32-35-17(23)5)31-26(30-24)18-7-19(27)9-21(8-18)34-12-20(33)11-28-6/h8-10,15,18,22,24,31,36H,7,11-14,16-17H2,1-6H3;11-13,19,22,30,35H,6-10,14-15H2,1-5H3;6-7,12,15,19-20,29,33H,8-11,13-14H2,1-5H3;6-8,12,19,21,29,33H,9-11,13-15H2,1-5H3;7-9,20,28,33H,10-12H2,1-6H3 |
| InChIKey | AAFCQRYFUBTFRS-UHFFFAOYSA-N |
| XLogP | 22.87 |
| TPSA | 547.17 Ų |
| H-Bond Donors | 10 |
| H-Bond Acceptors | 41 |
| Rotatable Bonds | 45 |
| Heavy Atoms | 185 |
| Complexity | — |
Lipinski Rule of Five
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2603.43 |
| LogP ≤ 5 | 22.87 |
| H-Bond Donors ≤ 5 | 10 |
| H-Bond Acceptors ≤ 10 | 41 |
Frequently Asked Questions
What is the IUPAC name of 1-[3-chloro-5-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-(3,5-dimethyl-2H-pyrrol-4-yl)-5-methylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[4-chloro-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-[(2-methyloxan-4-yl)methyl]pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[(3-fluoro-3-methylcyclopentyl)methyl]-5-methylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;ethyl 4-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-5-methylpyrimidin-4-yl]methyl]-2-methylpiperidine-1-carboxylate;methyl 4-[[2-[3-chloro-5-[2-hydroxy-3-(methylamino)propoxy]phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-4-yl]methyl]piperidine-1-carboxylate?
The IUPAC name of 1-[3-chloro-5-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-(3,5-dimethyl-2H-pyrrol-4-yl)-5-methylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[4-chloro-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-[(2-methyloxan-4-yl)methyl]pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[(3-fluoro-3-methylcyclopentyl)methyl]-5-methylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;ethyl 4-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-5-methylpyrimidin-4-yl]methyl]-2-methylpiperidine-1-carboxylate;methyl 4-[[2-[3-chloro-5-[2-hydroxy-3-(methylamino)propoxy]phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-4-yl]methyl]piperidine-1-carboxylate (CID 157051067) is 1-[3-chloro-5-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-(3,5-dimethyl-2H-pyrrol-4-yl)-5-methylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[4-chloro-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-[(2-methyloxan-4-yl)methyl]pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[(3-fluoro-3-methylcyclopentyl)methyl]-5-methylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;ethyl 4-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-5-methylpyrimidin-4-yl]methyl]-2-methylpiperidine-1-carboxylate;methyl 4-[[2-[3-chloro-5-[2-hydroxy-3-(methylamino)propoxy]phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-4-yl]methyl]piperidine-1-carboxylate.
What is the SMILES notation for 1-[3-chloro-5-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-(3,5-dimethyl-2H-pyrrol-4-yl)-5-methylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[4-chloro-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-[(2-methyloxan-4-yl)methyl]pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[(3-fluoro-3-methylcyclopentyl)methyl]-5-methylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;ethyl 4-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-5-methylpyrimidin-4-yl]methyl]-2-methylpiperidine-1-carboxylate;methyl 4-[[2-[3-chloro-5-[2-hydroxy-3-(methylamino)propoxy]phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-4-yl]methyl]piperidine-1-carboxylate?
The canonical SMILES for 1-[3-chloro-5-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-(3,5-dimethyl-2H-pyrrol-4-yl)-5-methylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[4-chloro-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-[(2-methyloxan-4-yl)methyl]pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[(3-fluoro-3-methylcyclopentyl)methyl]-5-methylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;ethyl 4-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-5-methylpyrimidin-4-yl]methyl]-2-methylpiperidine-1-carboxylate;methyl 4-[[2-[3-chloro-5-[2-hydroxy-3-(methylamino)propoxy]phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-4-yl]methyl]piperidine-1-carboxylate is CCOC(=O)N1CCC(Cc2nc(-c3cccc(OCC(O)CNC)c3)nc(-c3c(C)noc3C)c2C)CC1C.CNCC(O)COc1cc(Cl)cc(-c2nc(C3=C(C)CN=C3C)c(C)c(-c3c(C)noc3C)n2)c1.CNCC(O)COc1cc(Cl)cc(-c2nc(CC3CCN(C(=O)OC)CC3)c(C)c(-c3c(C)noc3C)n2)c1.CNCC(O)COc1ccc(Cl)c(-c2nc(CC3CCOC(C)C3)c(C)c(-c3c(C)noc3C)n2)c1.CNCC(O)COc1cccc(-c2nc(CC3CCC(C)(F)C3)c(C)c(-c3c(C)noc3C)n2)c1.
What is the InChIKey of 1-[3-chloro-5-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-(3,5-dimethyl-2H-pyrrol-4-yl)-5-methylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[4-chloro-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-[(2-methyloxan-4-yl)methyl]pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[(3-fluoro-3-methylcyclopentyl)methyl]-5-methylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;ethyl 4-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-5-methylpyrimidin-4-yl]methyl]-2-methylpiperidine-1-carboxylate;methyl 4-[[2-[3-chloro-5-[2-hydroxy-3-(methylamino)propoxy]phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-4-yl]methyl]piperidine-1-carboxylate?
The InChIKey is AAFCQRYFUBTFRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H41N5O5.C28H36ClN5O5.C27H35ClN4O4.C27H35FN4O3.C26H30ClN5O3/c1-7-38-30(37)35-12-11-22(13-18(35)2)14-26-19(3)28(27-20(4)34-40-21(27)5)33-29(32-26)23-9-8-10-25(15-23)39-17-24(36)16-31-6;1-16-24(10-19-6-8-34(9-7-19)28(36)37-5)31-27(32-26(16)25-17(2)33-39-18(25)3)20-11-21(29)13-23(12-20)38-15-22(35)14-30-4;1-15-10-19(8-9-34-15)11-24-16(2)26(25-17(3)32-36-18(25)4)31-27(30-24)22-12-21(6-7-23(22)28)35-14-20(33)13-29-5;1-16-23(11-19-9-10-27(4,28)13-19)30-26(31-25(16)24-17(2)32-35-18(24)3)20-7-6-8-22(12-20)34-15-21(33)14-29-5;1-13-10-29-15(3)22(13)24-14(2)25(23-16(4)32-35-17(23)5)31-26(30-24)18-7-19(27)9-21(8-18)34-12-20(33)11-28-6/h8-10,15,18,22,24,31,36H,7,11-14,16-17H2,1-6H3;11-13,19,22,30,35H,6-10,14-15H2,1-5H3;6-7,12,15,19-20,29,33H,8-11,13-14H2,1-5H3;6-8,12,19,21,29,33H,9-11,13-15H2,1-5H3;7-9,20,28,33H,10-12H2,1-6H3.
What are the key properties of 1-[3-chloro-5-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-(3,5-dimethyl-2H-pyrrol-4-yl)-5-methylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[4-chloro-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-[(2-methyloxan-4-yl)methyl]pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[(3-fluoro-3-methylcyclopentyl)methyl]-5-methylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;ethyl 4-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-5-methylpyrimidin-4-yl]methyl]-2-methylpiperidine-1-carboxylate;methyl 4-[[2-[3-chloro-5-[2-hydroxy-3-(methylamino)propoxy]phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-4-yl]methyl]piperidine-1-carboxylate?
1-[3-chloro-5-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-(3,5-dimethyl-2H-pyrrol-4-yl)-5-methylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[4-chloro-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-[(2-methyloxan-4-yl)methyl]pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[(3-fluoro-3-methylcyclopentyl)methyl]-5-methylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;ethyl 4-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-5-methylpyrimidin-4-yl]methyl]-2-methylpiperidine-1-carboxylate;methyl 4-[[2-[3-chloro-5-[2-hydroxy-3-(methylamino)propoxy]phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-4-yl]methyl]piperidine-1-carboxylate has a molecular weight of 2603.43 g/mol, XLogP of 22.87, 45 rotatable bonds, 10 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-5-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-(3,5-dimethyl-2H-pyrrol-4-yl)-5-methylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[4-chloro-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-[(2-methyloxan-4-yl)methyl]pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[(3-fluoro-3-methylcyclopentyl)methyl]-5-methylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;ethyl 4-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-5-methylpyrimidin-4-yl]methyl]-2-methylpiperidine-1-carboxylate;methyl 4-[[2-[3-chloro-5-[2-hydroxy-3-(methylamino)propoxy]phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-4-yl]methyl]piperidine-1-carboxylate is sourced from PubChem (CID 157051067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.
Sources
- PubChem CID 157051067 — identifiers, structure, computed properties (public domain)
How this page is built: methodology · editorial policy & corrections.
For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.