1-[4-chloro-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[2-(1,4-dioxan-2-yl)ethyl]-5-methylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[4-chloro-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[[7-(1-methoxyethenyl)-7-azaspiro[3.5]nonan-2-yl]methyl]-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-[[(1S,3R)-3-methylcyclohexyl]methyl]pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;3-[[2-[2-chloro-5-[2-hydroxy-3-(methylamino)propoxy]phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-4-yl]methyl]-1-(1,1-difluoroethyl)cyclobutan-1-ol;ethyl (3S)-3-[2-[2-[2-chloro-5-[(2S)-2-hydroxy-3-(methylamino)propoxy]phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-4-yl]ethyl]morpholine-4-carboxylate;methyl 4-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-fluoro-5-[(2R)-2-hydroxy-3-(methylamino)propoxy]phenyl]-5-methylpyrimidin-4-yl]methyl]piperidine-1-carboxylate

C170H219Cl5F3N27O27 — CID 159329211

About 1-[4-chloro-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[2-(1,4-dioxan-2-yl)ethyl]-5-methylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[4-chloro-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[[7-(1-methoxyethenyl)-7-azaspiro[3.5]nonan-2-yl]methyl]-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-[[(1S,3R)-3-methylcyclohexyl]methyl]pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;3-[[2-[2-chloro-5-[2-hydroxy-3-(methylamino)propoxy]phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-4-yl]methyl]-1-(1,1-difluoroethyl)cyclobutan-1-ol;ethyl (3S)-3-[2-[2-[2-chloro-5-[(2S)-2-hydroxy-3-(methylamino)propoxy]phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-4-yl]ethyl]morpholine-4-carboxylate;methyl 4-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-fluoro-5-[(2R)-2-hydroxy-3-(methylamino)propoxy]phenyl]-5-methylpyrimidin-4-yl]methyl]piperidine-1-carboxylate

1-[4-chloro-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[2-(1,4-dioxan-2-yl)ethyl]-5-methylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[4-chloro-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[[7-(1-methoxyethenyl)-7-azaspiro[3.5]nonan-2-yl]methyl]-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-[[(1S,3R)-3-methylcyclohexyl]methyl]pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;3-[[2-[2-chloro-5-[2-hydroxy-3-(methylamino)propoxy]phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-4-yl]methyl]-1-(1,1-difluoroethyl)cyclobutan-1-ol;ethyl (3S)-3-[2-[2-[2-chloro-5-[(2S)-2-hydroxy-3-(methylamino)propoxy]phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-4-yl]ethyl]morpholine-4-carboxylate;methyl 4-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-fluoro-5-[(2R)-2-hydroxy-3-(methylamino)propoxy]phenyl]-5-methylpyrimidin-4-yl]methyl]piperidine-1-carboxylate (PubChem CID 159329211) has the molecular formula C170H219Cl5F3N27O27 and a molecular weight of 3307.04 g/mol. Its IUPAC name is 1-[4-chloro-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[2-(1,4-dioxan-2-yl)ethyl]-5-methylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[4-chloro-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[[7-(1-methoxyethenyl)-7-azaspiro[3.5]nonan-2-yl]methyl]-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-[[(1S,3R)-3-methylcyclohexyl]methyl]pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;3-[[2-[2-chloro-5-[2-hydroxy-3-(methylamino)propoxy]phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-4-yl]methyl]-1-(1,1-difluoroethyl)cyclobutan-1-ol;ethyl (3S)-3-[2-[2-[2-chloro-5-[(2S)-2-hydroxy-3-(methylamino)propoxy]phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-4-yl]ethyl]morpholine-4-carboxylate;methyl 4-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-fluoro-5-[(2R)-2-hydroxy-3-(methylamino)propoxy]phenyl]-5-methylpyrimidin-4-yl]methyl]piperidine-1-carboxylate.

Molecular Properties

• Compound Name: 1-[4-chloro-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[2-(1,4-dioxan-2-yl)ethyl]-5-methylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[4-chloro-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[[7-(1-methoxyethenyl)-7-azaspiro[3.5]nonan-2-yl]methyl]-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-[[(1S,3R)-3-methylcyclohexyl]methyl]pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;3-[[2-[2-chloro-5-[2-hydroxy-3-(methylamino)propoxy]phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-4-yl]methyl]-1-(1,1-difluoroethyl)cyclobutan-1-ol;ethyl (3S)-3-[2-[2-[2-chloro-5-[(2S)-2-hydroxy-3-(methylamino)propoxy]phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-4-yl]ethyl]morpholine-4-carboxylate;methyl 4-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-fluoro-5-[(2R)-2-hydroxy-3-(methylamino)propoxy]phenyl]-5-methylpyrimidin-4-yl]methyl]piperidine-1-carboxylate
• PubChem CID: 159329211
• Molecular Formula: C170H219Cl5F3N27O27
• Molecular Weight: 3307.04 g/mol
• Exact Mass: 3302.50
• IUPAC Name: 1-[4-chloro-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[2-(1,4-dioxan-2-yl)ethyl]-5-methylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[4-chloro-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[[7-(1-methoxyethenyl)-7-azaspiro[3.5]nonan-2-yl]methyl]-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-[[(1S,3R)-3-methylcyclohexyl]methyl]pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;3-[[2-[2-chloro-5-[2-hydroxy-3-(methylamino)propoxy]phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-4-yl]methyl]-1-(1,1-difluoroethyl)cyclobutan-1-ol;ethyl (3S)-3-[2-[2-[2-chloro-5-[(2S)-2-hydroxy-3-(methylamino)propoxy]phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-4-yl]ethyl]morpholine-4-carboxylate;methyl 4-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-fluoro-5-[(2R)-2-hydroxy-3-(methylamino)propoxy]phenyl]-5-methylpyrimidin-4-yl]methyl]piperidine-1-carboxylate
• SMILES: C=C(OC)N1CCC2(CC1)CC(Cc1nc(-c3cc(OCC(O)CNC)ccc3Cl)nc(-c3c(C)noc3C)c1C)C2.CCOC(=O)N1CCOC[C@@H]1CCc1nc(-c2cc(OC[C@@H](O)CNC)ccc2Cl)nc(-c2c(C)noc2C)c1C.CNCC(O)COc1ccc(Cl)c(-c2nc(CC3CC(O)(C(C)(F)F)C3)c(C)c(-c3c(C)noc3C)n2)c1.CNCC(O)COc1ccc(Cl)c(-c2nc(CCC3COCCO3)c(C)c(-c3c(C)noc3C)n2)c1.CNCC(O)COc1ccc(Cl)c(-c2nc(C[C@H]3CCC[C@@H](C)C3)c(C)c(-c3c(C)noc3C)n2)c1.CNC[C@@H](O)COc1ccc(F)c(-c2nc(CC3CCN(C(=O)OC)CC3)c(C)c(-c3c(C)noc3C)n2)c1
• InChI: InChI=1S/C32H42ClN5O4.C29H38ClN5O6.C28H37ClN4O3.C28H36FN5O5.C27H33ClF2N4O4.C26H33ClN4O5/c1-19-28(13-23-15-32(16-23)9-11-38(12-10-32)22(4)40-6)35-31(36-30(19)29-20(2)37-42-21(29)3)26-14-25(7-8-27(26)33)41-18-24(39)17-34-5;1-6-39-29(37)35-11-12-38-15-20(35)7-10-25-17(2)27(26-18(3)34-41-19(26)4)33-28(32-25)23-13-22(8-9-24(23)30)40-16-21(36)14-31-5;1-16-7-6-8-20(11-16)12-25-17(2)27(26-18(3)33-36-19(26)4)32-28(31-25)23-13-22(9-10-24(23)29)35-15-21(34)14-30-5;1-16-24(12-19-8-10-34(11-9-19)28(36)37-5)31-27(32-26(16)25-17(2)33-39-18(25)3)22-13-21(6-7-23(22)29)38-15-20(35)14-30-4;1-14-22(8-17-10-27(36,11-17)26(4,29)30)32-25(33-24(14)23-15(2)34-38-16(23)3)20-9-19(6-7-21(20)28)37-13-18(35)12-31-5;1-15-23(8-6-20-14-33-9-10-34-20)29-26(30-25(15)24-16(2)31-36-17(24)3)21-11-19(5-7-22(21)27)35-13-18(32)12-28-4/h7-8,14,23-24,34,39H,4,9-13,15-18H2,1-3,5-6H3;8-9,13,20-21,31,36H,6-7,10-12,14-16H2,1-5H3;9-10,13,16,20-21,30,34H,6-8,11-12,14-15H2,1-5H3;6-7,13,19-20,30,35H,8-12,14-15H2,1-5H3;6-7,9,17-18,31,35-36H,8,10-13H2,1-5H3;5,7,11,18,20,28,32H,6,8-10,12-14H2,1-4H3/t;20-,21-;16-,20+,21?;20-;;/m.011../s1
• InChIKey: LETJCDDICVHTKL-NYYDDLPOSA-N
• XLogP: 27.52
• TPSA: 679.27 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 52
• Rotatable Bonds: 60
• Heavy Atoms: 232
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3307.04
LogP ≤ 5	27.52
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	52

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[2-(1,4-dioxan-2-yl)ethyl]-5-methylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[4-chloro-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[[7-(1-methoxyethenyl)-7-azaspiro[3.5]nonan-2-yl]methyl]-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-[[(1S,3R)-3-methylcyclohexyl]methyl]pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;3-[[2-[2-chloro-5-[2-hydroxy-3-(methylamino)propoxy]phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-4-yl]methyl]-1-(1,1-difluoroethyl)cyclobutan-1-ol;ethyl (3S)-3-[2-[2-[2-chloro-5-[(2S)-2-hydroxy-3-(methylamino)propoxy]phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-4-yl]ethyl]morpholine-4-carboxylate;methyl 4-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-fluoro-5-[(2R)-2-hydroxy-3-(methylamino)propoxy]phenyl]-5-methylpyrimidin-4-yl]methyl]piperidine-1-carboxylate?

The IUPAC name of 1-[4-chloro-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[2-(1,4-dioxan-2-yl)ethyl]-5-methylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[4-chloro-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[[7-(1-methoxyethenyl)-7-azaspiro[3.5]nonan-2-yl]methyl]-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-[[(1S,3R)-3-methylcyclohexyl]methyl]pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;3-[[2-[2-chloro-5-[2-hydroxy-3-(methylamino)propoxy]phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-4-yl]methyl]-1-(1,1-difluoroethyl)cyclobutan-1-ol;ethyl (3S)-3-[2-[2-[2-chloro-5-[(2S)-2-hydroxy-3-(methylamino)propoxy]phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-4-yl]ethyl]morpholine-4-carboxylate;methyl 4-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-fluoro-5-[(2R)-2-hydroxy-3-(methylamino)propoxy]phenyl]-5-methylpyrimidin-4-yl]methyl]piperidine-1-carboxylate (CID 159329211) is 1-[4-chloro-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[2-(1,4-dioxan-2-yl)ethyl]-5-methylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[4-chloro-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[[7-(1-methoxyethenyl)-7-azaspiro[3.5]nonan-2-yl]methyl]-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-[[(1S,3R)-3-methylcyclohexyl]methyl]pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;3-[[2-[2-chloro-5-[2-hydroxy-3-(methylamino)propoxy]phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-4-yl]methyl]-1-(1,1-difluoroethyl)cyclobutan-1-ol;ethyl (3S)-3-[2-[2-[2-chloro-5-[(2S)-2-hydroxy-3-(methylamino)propoxy]phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-4-yl]ethyl]morpholine-4-carboxylate;methyl 4-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-fluoro-5-[(2R)-2-hydroxy-3-(methylamino)propoxy]phenyl]-5-methylpyrimidin-4-yl]methyl]piperidine-1-carboxylate.

What is the SMILES notation for 1-[4-chloro-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[2-(1,4-dioxan-2-yl)ethyl]-5-methylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[4-chloro-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[[7-(1-methoxyethenyl)-7-azaspiro[3.5]nonan-2-yl]methyl]-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-[[(1S,3R)-3-methylcyclohexyl]methyl]pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;3-[[2-[2-chloro-5-[2-hydroxy-3-(methylamino)propoxy]phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-4-yl]methyl]-1-(1,1-difluoroethyl)cyclobutan-1-ol;ethyl (3S)-3-[2-[2-[2-chloro-5-[(2S)-2-hydroxy-3-(methylamino)propoxy]phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-4-yl]ethyl]morpholine-4-carboxylate;methyl 4-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-fluoro-5-[(2R)-2-hydroxy-3-(methylamino)propoxy]phenyl]-5-methylpyrimidin-4-yl]methyl]piperidine-1-carboxylate?

The canonical SMILES for 1-[4-chloro-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[2-(1,4-dioxan-2-yl)ethyl]-5-methylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[4-chloro-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[[7-(1-methoxyethenyl)-7-azaspiro[3.5]nonan-2-yl]methyl]-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-[[(1S,3R)-3-methylcyclohexyl]methyl]pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;3-[[2-[2-chloro-5-[2-hydroxy-3-(methylamino)propoxy]phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-4-yl]methyl]-1-(1,1-difluoroethyl)cyclobutan-1-ol;ethyl (3S)-3-[2-[2-[2-chloro-5-[(2S)-2-hydroxy-3-(methylamino)propoxy]phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-4-yl]ethyl]morpholine-4-carboxylate;methyl 4-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-fluoro-5-[(2R)-2-hydroxy-3-(methylamino)propoxy]phenyl]-5-methylpyrimidin-4-yl]methyl]piperidine-1-carboxylate is C=C(OC)N1CCC2(CC1)CC(Cc1nc(-c3cc(OCC(O)CNC)ccc3Cl)nc(-c3c(C)noc3C)c1C)C2.CCOC(=O)N1CCOC[C@@H]1CCc1nc(-c2cc(OC[C@@H](O)CNC)ccc2Cl)nc(-c2c(C)noc2C)c1C.CNCC(O)COc1ccc(Cl)c(-c2nc(CC3CC(O)(C(C)(F)F)C3)c(C)c(-c3c(C)noc3C)n2)c1.CNCC(O)COc1ccc(Cl)c(-c2nc(CCC3COCCO3)c(C)c(-c3c(C)noc3C)n2)c1.CNCC(O)COc1ccc(Cl)c(-c2nc(C[C@H]3CCC[C@@H](C)C3)c(C)c(-c3c(C)noc3C)n2)c1.CNC[C@@H](O)COc1ccc(F)c(-c2nc(CC3CCN(C(=O)OC)CC3)c(C)c(-c3c(C)noc3C)n2)c1.

What is the InChIKey of 1-[4-chloro-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[2-(1,4-dioxan-2-yl)ethyl]-5-methylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[4-chloro-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[[7-(1-methoxyethenyl)-7-azaspiro[3.5]nonan-2-yl]methyl]-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-[[(1S,3R)-3-methylcyclohexyl]methyl]pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;3-[[2-[2-chloro-5-[2-hydroxy-3-(methylamino)propoxy]phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-4-yl]methyl]-1-(1,1-difluoroethyl)cyclobutan-1-ol;ethyl (3S)-3-[2-[2-[2-chloro-5-[(2S)-2-hydroxy-3-(methylamino)propoxy]phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-4-yl]ethyl]morpholine-4-carboxylate;methyl 4-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-fluoro-5-[(2R)-2-hydroxy-3-(methylamino)propoxy]phenyl]-5-methylpyrimidin-4-yl]methyl]piperidine-1-carboxylate?

The InChIKey is LETJCDDICVHTKL-NYYDDLPOSA-N. The full InChI is InChI=1S/C32H42ClN5O4.C29H38ClN5O6.C28H37ClN4O3.C28H36FN5O5.C27H33ClF2N4O4.C26H33ClN4O5/c1-19-28(13-23-15-32(16-23)9-11-38(12-10-32)22(4)40-6)35-31(36-30(19)29-20(2)37-42-21(29)3)26-14-25(7-8-27(26)33)41-18-24(39)17-34-5;1-6-39-29(37)35-11-12-38-15-20(35)7-10-25-17(2)27(26-18(3)34-41-19(26)4)33-28(32-25)23-13-22(8-9-24(23)30)40-16-21(36)14-31-5;1-16-7-6-8-20(11-16)12-25-17(2)27(26-18(3)33-36-19(26)4)32-28(31-25)23-13-22(9-10-24(23)29)35-15-21(34)14-30-5;1-16-24(12-19-8-10-34(11-9-19)28(36)37-5)31-27(32-26(16)25-17(2)33-39-18(25)3)22-13-21(6-7-23(22)29)38-15-20(35)14-30-4;1-14-22(8-17-10-27(36,11-17)26(4,29)30)32-25(33-24(14)23-15(2)34-38-16(23)3)20-9-19(6-7-21(20)28)37-13-18(35)12-31-5;1-15-23(8-6-20-14-33-9-10-34-20)29-26(30-25(15)24-16(2)31-36-17(24)3)21-11-19(5-7-22(21)27)35-13-18(32)12-28-4/h7-8,14,23-24,34,39H,4,9-13,15-18H2,1-3,5-6H3;8-9,13,20-21,31,36H,6-7,10-12,14-16H2,1-5H3;9-10,13,16,20-21,30,34H,6-8,11-12,14-15H2,1-5H3;6-7,13,19-20,30,35H,8-12,14-15H2,1-5H3;6-7,9,17-18,31,35-36H,8,10-13H2,1-5H3;5,7,11,18,20,28,32H,6,8-10,12-14H2,1-4H3/t;20-,21-;16-,20+,21?;20-;;/m.011../s1.

What are the key properties of 1-[4-chloro-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[2-(1,4-dioxan-2-yl)ethyl]-5-methylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[4-chloro-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[[7-(1-methoxyethenyl)-7-azaspiro[3.5]nonan-2-yl]methyl]-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-[[(1S,3R)-3-methylcyclohexyl]methyl]pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;3-[[2-[2-chloro-5-[2-hydroxy-3-(methylamino)propoxy]phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-4-yl]methyl]-1-(1,1-difluoroethyl)cyclobutan-1-ol;ethyl (3S)-3-[2-[2-[2-chloro-5-[(2S)-2-hydroxy-3-(methylamino)propoxy]phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-4-yl]ethyl]morpholine-4-carboxylate;methyl 4-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-fluoro-5-[(2R)-2-hydroxy-3-(methylamino)propoxy]phenyl]-5-methylpyrimidin-4-yl]methyl]piperidine-1-carboxylate?

1-[4-chloro-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[2-(1,4-dioxan-2-yl)ethyl]-5-methylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[4-chloro-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[[7-(1-methoxyethenyl)-7-azaspiro[3.5]nonan-2-yl]methyl]-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-[[(1S,3R)-3-methylcyclohexyl]methyl]pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;3-[[2-[2-chloro-5-[2-hydroxy-3-(methylamino)propoxy]phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-4-yl]methyl]-1-(1,1-difluoroethyl)cyclobutan-1-ol;ethyl (3S)-3-[2-[2-[2-chloro-5-[(2S)-2-hydroxy-3-(methylamino)propoxy]phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-4-yl]ethyl]morpholine-4-carboxylate;methyl 4-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-fluoro-5-[(2R)-2-hydroxy-3-(methylamino)propoxy]phenyl]-5-methylpyrimidin-4-yl]methyl]piperidine-1-carboxylate has a molecular weight of 3307.04 g/mol, XLogP of 27.52, 60 rotatable bonds, 13 hydrogen bond donors, and 52 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-chloro-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[2-(1,4-dioxan-2-yl)ethyl]-5-methylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[4-chloro-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[[7-(1-methoxyethenyl)-7-azaspiro[3.5]nonan-2-yl]methyl]-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-[[(1S,3R)-3-methylcyclohexyl]methyl]pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;3-[[2-[2-chloro-5-[2-hydroxy-3-(methylamino)propoxy]phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-4-yl]methyl]-1-(1,1-difluoroethyl)cyclobutan-1-ol;ethyl (3S)-3-[2-[2-[2-chloro-5-[(2S)-2-hydroxy-3-(methylamino)propoxy]phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-4-yl]ethyl]morpholine-4-carboxylate;methyl 4-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-fluoro-5-[(2R)-2-hydroxy-3-(methylamino)propoxy]phenyl]-5-methylpyrimidin-4-yl]methyl]piperidine-1-carboxylate is sourced from PubChem (CID 159329211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).