5,5-dimethyl-3-[4-[1-(2-methyl-N-[(3R)-piperidin-3-yl]anilino)ethenyl]phenyl]-1,2-oxazol-4-one;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(5-fluoro-3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide;bis(4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide);4-(4-hydroxy-5,5-dimethyl-4H-1,2-oxazol-3-yl)-N-[(3R)-piperidin-3-yl]-N-pyridin-2-ylbenzamide;4-[(4S)-4-methoxy-5,5-dimethyl-4H-1,2-oxazol-3-yl]-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide;4-[(4R)-4-methoxy-5,5-dimethyl-4H-1,2-oxazol-3-yl]-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide;4-(4-methoxy-5,5-dimethyl-4H-1,2-oxazol-3-yl)-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide
C188H222FN31O23 — CID 159048590
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC5,5-dimethyl-3-[4-[1-(2-methyl-N-[(3R)-piperidin-3-yl]anilino)ethenyl]phenyl]-1,2-oxazol-4-one;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(5-fluoro-3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide;bis(4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide);4-(4-hydroxy-5,5-dimethyl-4H-1,2-oxazol-3-yl)-N-[(3R)-piperidin-3-yl]-N-pyridin-2-ylbenzamide;4-[(4S)-4-methoxy-5,5-dimethyl-4H-1,2-oxazol-3-yl]-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide;4-[(4R)-4-methoxy-5,5-dimethyl-4H-1,2-oxazol-3-yl]-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide;4-(4-methoxy-5,5-dimethyl-4H-1,2-oxazol-3-yl)-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide
SMILESC=C(c1ccc(C2=NOC(C)(C)C2=O)cc1)N(c1ccccc1C)[C@@H]1CCCNC1.CC1(C)ON=C(c2ccc(C(=O)N(c3ccccn3)[C@@H]3CCCNC3)cc2)C1O.COC1C(c2ccc(C(=O)N(c3ncccc3C)[C@@H]3CCCNC3)cc2)=NOC1(C)C.CO[C@@H]1C(c2ccc(C(=O)N(c3ncccc3C)[C@@H]3CCCNC3)cc2)=NOC1(C)C.CO[C@H]1C(c2ccc(C(=O)N(c3ncccc3C)[C@@H]3CCCNC3)cc2)=NOC1(C)C.Cc1cc(F)cnc1N(C(=O)c1ccc(C2=NOC(C)(C)C2=O)cc1)[C@@H]1CCCNC1.Cc1cccnc1N(C(=O)c1ccc(C2=NOC(C)(C)C2=O)cc1)[C@@H]1CCCNC1.Cc1cccnc1N(C(=O)c1ccc(C2=NOC(C)(C)C2=O)cc1)[C@@H]1CCCNC1
InChIInChI=1S/C25H29N3O2.3C24H30N4O3.C23H25FN4O3.2C23H26N4O3.C22H26N4O3/c1-17-8-5-6-10-22(17)28(21-9-7-15-26-16-21)18(2)19-11-13-20(14-12-19)23-24(29)25(3,4)30-27-23;3*1-16-7-5-14-26-22(16)28(19-8-6-13-25-15-19)23(29)18-11-9-17(10-12-18)20-21(30-4)24(2,3)31-27-20;1-14-11-17(24)12-26-21(14)28(18-5-4-10-25-13-18)22(30)16-8-6-15(7-9-16)19-20(29)23(2,3)31-27-19;2*1-15-6-4-13-25-21(15)27(18-7-5-12-24-14-18)22(29)17-10-8-16(9-11-17)19-20(28)23(2,3)30-26-19;1-22(2)20(27)19(25-29-22)15-8-10-16(11-9-15)21(28)26(17-6-5-12-23-14-17)18-7-3-4-13-24-18/h5-6,8,10-14,21,26H,2,7,9,15-16H2,1,3-4H3;3*5,7,9-12,14,19,21,25H,6,8,13,15H2,1-4H3;6-9,11-12,18,25H,4-5,10,13H2,1-3H3;2*4,6,8-11,13,18,24H,5,7,12,14H2,1-3H3;3-4,7-11,13,17,20,23,27H,5-6,12,14H2,1-2H3/t21-;19-,21?;19-,21+;19-,21-;3*18-;17-,20?/m11111111/s1
InChIKeyJWYXDECRMLOUAO-QIBWRSJGSA-N
MW3303.04 g/mol
LogP25.36
Rot. Bonds36
About 5,5-dimethyl-3-[4-[1-(2-methyl-N-[(3R)-piperidin-3-yl]anilino)ethenyl]phenyl]-1,2-oxazol-4-one;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(5-fluoro-3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide;bis(4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide);4-(4-hydroxy-5,5-dimethyl-4H-1,2-oxazol-3-yl)-N-[(3R)-piperidin-3-yl]-N-pyridin-2-ylbenzamide;4-[(4S)-4-methoxy-5,5-dimethyl-4H-1,2-oxazol-3-yl]-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide;4-[(4R)-4-methoxy-5,5-dimethyl-4H-1,2-oxazol-3-yl]-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide;4-(4-methoxy-5,5-dimethyl-4H-1,2-oxazol-3-yl)-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide
5,5-dimethyl-3-[4-[1-(2-methyl-N-[(3R)-piperidin-3-yl]anilino)ethenyl]phenyl]-1,2-oxazol-4-one;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(5-fluoro-3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide;bis(4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide);4-(4-hydroxy-5,5-dimethyl-4H-1,2-oxazol-3-yl)-N-[(3R)-piperidin-3-yl]-N-pyridin-2-ylbenzamide;4-[(4S)-4-methoxy-5,5-dimethyl-4H-1,2-oxazol-3-yl]-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide;4-[(4R)-4-methoxy-5,5-dimethyl-4H-1,2-oxazol-3-yl]-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide;4-(4-methoxy-5,5-dimethyl-4H-1,2-oxazol-3-yl)-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide (PubChem CID 159048590) has the molecular formula C188H222FN31O23 and a molecular weight of 3303.04 g/mol. Its IUPAC name is 5,5-dimethyl-3-[4-[1-(2-methyl-N-[(3R)-piperidin-3-yl]anilino)ethenyl]phenyl]-1,2-oxazol-4-one;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(5-fluoro-3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide;bis(4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide);4-(4-hydroxy-5,5-dimethyl-4H-1,2-oxazol-3-yl)-N-[(3R)-piperidin-3-yl]-N-pyridin-2-ylbenzamide;4-[(4S)-4-methoxy-5,5-dimethyl-4H-1,2-oxazol-3-yl]-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide;4-[(4R)-4-methoxy-5,5-dimethyl-4H-1,2-oxazol-3-yl]-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide;4-(4-methoxy-5,5-dimethyl-4H-1,2-oxazol-3-yl)-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide.
Molecular Properties
| Compound Name | 5,5-dimethyl-3-[4-[1-(2-methyl-N-[(3R)-piperidin-3-yl]anilino)ethenyl]phenyl]-1,2-oxazol-4-one;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(5-fluoro-3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide;bis(4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide);4-(4-hydroxy-5,5-dimethyl-4H-1,2-oxazol-3-yl)-N-[(3R)-piperidin-3-yl]-N-pyridin-2-ylbenzamide;4-[(4S)-4-methoxy-5,5-dimethyl-4H-1,2-oxazol-3-yl]-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide;4-[(4R)-4-methoxy-5,5-dimethyl-4H-1,2-oxazol-3-yl]-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide;4-(4-methoxy-5,5-dimethyl-4H-1,2-oxazol-3-yl)-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide |
|---|---|
| PubChem CID | 159048590 |
| Molecular Formula | C188H222FN31O23 |
| Molecular Weight | 3303.04 g/mol |
| Exact Mass | 3300.71 |
| IUPAC Name | 5,5-dimethyl-3-[4-[1-(2-methyl-N-[(3R)-piperidin-3-yl]anilino)ethenyl]phenyl]-1,2-oxazol-4-one;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(5-fluoro-3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide;bis(4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide);4-(4-hydroxy-5,5-dimethyl-4H-1,2-oxazol-3-yl)-N-[(3R)-piperidin-3-yl]-N-pyridin-2-ylbenzamide;4-[(4S)-4-methoxy-5,5-dimethyl-4H-1,2-oxazol-3-yl]-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide;4-[(4R)-4-methoxy-5,5-dimethyl-4H-1,2-oxazol-3-yl]-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide;4-(4-methoxy-5,5-dimethyl-4H-1,2-oxazol-3-yl)-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide |
| SMILES | C=C(c1ccc(C2=NOC(C)(C)C2=O)cc1)N(c1ccccc1C)[C@@H]1CCCNC1.CC1(C)ON=C(c2ccc(C(=O)N(c3ccccn3)[C@@H]3CCCNC3)cc2)C1O.COC1C(c2ccc(C(=O)N(c3ncccc3C)[C@@H]3CCCNC3)cc2)=NOC1(C)C.CO[C@@H]1C(c2ccc(C(=O)N(c3ncccc3C)[C@@H]3CCCNC3)cc2)=NOC1(C)C.CO[C@H]1C(c2ccc(C(=O)N(c3ncccc3C)[C@@H]3CCCNC3)cc2)=NOC1(C)C.Cc1cc(F)cnc1N(C(=O)c1ccc(C2=NOC(C)(C)C2=O)cc1)[C@@H]1CCCNC1.Cc1cccnc1N(C(=O)c1ccc(C2=NOC(C)(C)C2=O)cc1)[C@@H]1CCCNC1.Cc1cccnc1N(C(=O)c1ccc(C2=NOC(C)(C)C2=O)cc1)[C@@H]1CCCNC1 |
| InChI | InChI=1S/C25H29N3O2.3C24H30N4O3.C23H25FN4O3.2C23H26N4O3.C22H26N4O3/c1-17-8-5-6-10-22(17)28(21-9-7-15-26-16-21)18(2)19-11-13-20(14-12-19)23-24(29)25(3,4)30-27-23;3*1-16-7-5-14-26-22(16)28(19-8-6-13-25-15-19)23(29)18-11-9-17(10-12-18)20-21(30-4)24(2,3)31-27-20;1-14-11-17(24)12-26-21(14)28(18-5-4-10-25-13-18)22(30)16-8-6-15(7-9-16)19-20(29)23(2,3)31-27-19;2*1-15-6-4-13-25-21(15)27(18-7-5-12-24-14-18)22(29)17-10-8-16(9-11-17)19-20(28)23(2,3)30-26-19;1-22(2)20(27)19(25-29-22)15-8-10-16(11-9-15)21(28)26(17-6-5-12-23-14-17)18-7-3-4-13-24-18/h5-6,8,10-14,21,26H,2,7,9,15-16H2,1,3-4H3;3*5,7,9-12,14,19,21,25H,6,8,13,15H2,1-4H3;6-9,11-12,18,25H,4-5,10,13H2,1-3H3;2*4,6,8-11,13,18,24H,5,7,12,14H2,1-3H3;3-4,7-11,13,17,20,23,27H,5-6,12,14H2,1-2H3/t21-;19-,21?;19-,21+;19-,21-;3*18-;17-,20?/m11111111/s1 |
| InChIKey | JWYXDECRMLOUAO-QIBWRSJGSA-N |
| XLogP | 25.36 |
| TPSA | 620.80 Ų |
| H-Bond Donors | 9 |
| H-Bond Acceptors | 47 |
| Rotatable Bonds | 36 |
| Heavy Atoms | 243 |
| Complexity | — |
Lipinski Rule of Five
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3303.04 |
| LogP ≤ 5 | 25.36 |
| H-Bond Donors ≤ 5 | 9 |
| H-Bond Acceptors ≤ 10 | 47 |
Frequently Asked Questions
What is the IUPAC name of 5,5-dimethyl-3-[4-[1-(2-methyl-N-[(3R)-piperidin-3-yl]anilino)ethenyl]phenyl]-1,2-oxazol-4-one;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(5-fluoro-3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide;bis(4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide);4-(4-hydroxy-5,5-dimethyl-4H-1,2-oxazol-3-yl)-N-[(3R)-piperidin-3-yl]-N-pyridin-2-ylbenzamide;4-[(4S)-4-methoxy-5,5-dimethyl-4H-1,2-oxazol-3-yl]-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide;4-[(4R)-4-methoxy-5,5-dimethyl-4H-1,2-oxazol-3-yl]-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide;4-(4-methoxy-5,5-dimethyl-4H-1,2-oxazol-3-yl)-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide?
The IUPAC name of 5,5-dimethyl-3-[4-[1-(2-methyl-N-[(3R)-piperidin-3-yl]anilino)ethenyl]phenyl]-1,2-oxazol-4-one;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(5-fluoro-3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide;bis(4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide);4-(4-hydroxy-5,5-dimethyl-4H-1,2-oxazol-3-yl)-N-[(3R)-piperidin-3-yl]-N-pyridin-2-ylbenzamide;4-[(4S)-4-methoxy-5,5-dimethyl-4H-1,2-oxazol-3-yl]-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide;4-[(4R)-4-methoxy-5,5-dimethyl-4H-1,2-oxazol-3-yl]-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide;4-(4-methoxy-5,5-dimethyl-4H-1,2-oxazol-3-yl)-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide (CID 159048590) is 5,5-dimethyl-3-[4-[1-(2-methyl-N-[(3R)-piperidin-3-yl]anilino)ethenyl]phenyl]-1,2-oxazol-4-one;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(5-fluoro-3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide;bis(4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide);4-(4-hydroxy-5,5-dimethyl-4H-1,2-oxazol-3-yl)-N-[(3R)-piperidin-3-yl]-N-pyridin-2-ylbenzamide;4-[(4S)-4-methoxy-5,5-dimethyl-4H-1,2-oxazol-3-yl]-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide;4-[(4R)-4-methoxy-5,5-dimethyl-4H-1,2-oxazol-3-yl]-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide;4-(4-methoxy-5,5-dimethyl-4H-1,2-oxazol-3-yl)-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide.
What is the SMILES notation for 5,5-dimethyl-3-[4-[1-(2-methyl-N-[(3R)-piperidin-3-yl]anilino)ethenyl]phenyl]-1,2-oxazol-4-one;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(5-fluoro-3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide;bis(4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide);4-(4-hydroxy-5,5-dimethyl-4H-1,2-oxazol-3-yl)-N-[(3R)-piperidin-3-yl]-N-pyridin-2-ylbenzamide;4-[(4S)-4-methoxy-5,5-dimethyl-4H-1,2-oxazol-3-yl]-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide;4-[(4R)-4-methoxy-5,5-dimethyl-4H-1,2-oxazol-3-yl]-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide;4-(4-methoxy-5,5-dimethyl-4H-1,2-oxazol-3-yl)-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide?
The canonical SMILES for 5,5-dimethyl-3-[4-[1-(2-methyl-N-[(3R)-piperidin-3-yl]anilino)ethenyl]phenyl]-1,2-oxazol-4-one;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(5-fluoro-3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide;bis(4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide);4-(4-hydroxy-5,5-dimethyl-4H-1,2-oxazol-3-yl)-N-[(3R)-piperidin-3-yl]-N-pyridin-2-ylbenzamide;4-[(4S)-4-methoxy-5,5-dimethyl-4H-1,2-oxazol-3-yl]-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide;4-[(4R)-4-methoxy-5,5-dimethyl-4H-1,2-oxazol-3-yl]-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide;4-(4-methoxy-5,5-dimethyl-4H-1,2-oxazol-3-yl)-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide is C=C(c1ccc(C2=NOC(C)(C)C2=O)cc1)N(c1ccccc1C)[C@@H]1CCCNC1.CC1(C)ON=C(c2ccc(C(=O)N(c3ccccn3)[C@@H]3CCCNC3)cc2)C1O.COC1C(c2ccc(C(=O)N(c3ncccc3C)[C@@H]3CCCNC3)cc2)=NOC1(C)C.CO[C@@H]1C(c2ccc(C(=O)N(c3ncccc3C)[C@@H]3CCCNC3)cc2)=NOC1(C)C.CO[C@H]1C(c2ccc(C(=O)N(c3ncccc3C)[C@@H]3CCCNC3)cc2)=NOC1(C)C.Cc1cc(F)cnc1N(C(=O)c1ccc(C2=NOC(C)(C)C2=O)cc1)[C@@H]1CCCNC1.Cc1cccnc1N(C(=O)c1ccc(C2=NOC(C)(C)C2=O)cc1)[C@@H]1CCCNC1.Cc1cccnc1N(C(=O)c1ccc(C2=NOC(C)(C)C2=O)cc1)[C@@H]1CCCNC1.
What is the InChIKey of 5,5-dimethyl-3-[4-[1-(2-methyl-N-[(3R)-piperidin-3-yl]anilino)ethenyl]phenyl]-1,2-oxazol-4-one;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(5-fluoro-3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide;bis(4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide);4-(4-hydroxy-5,5-dimethyl-4H-1,2-oxazol-3-yl)-N-[(3R)-piperidin-3-yl]-N-pyridin-2-ylbenzamide;4-[(4S)-4-methoxy-5,5-dimethyl-4H-1,2-oxazol-3-yl]-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide;4-[(4R)-4-methoxy-5,5-dimethyl-4H-1,2-oxazol-3-yl]-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide;4-(4-methoxy-5,5-dimethyl-4H-1,2-oxazol-3-yl)-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide?
The InChIKey is JWYXDECRMLOUAO-QIBWRSJGSA-N. The full InChI is InChI=1S/C25H29N3O2.3C24H30N4O3.C23H25FN4O3.2C23H26N4O3.C22H26N4O3/c1-17-8-5-6-10-22(17)28(21-9-7-15-26-16-21)18(2)19-11-13-20(14-12-19)23-24(29)25(3,4)30-27-23;3*1-16-7-5-14-26-22(16)28(19-8-6-13-25-15-19)23(29)18-11-9-17(10-12-18)20-21(30-4)24(2,3)31-27-20;1-14-11-17(24)12-26-21(14)28(18-5-4-10-25-13-18)22(30)16-8-6-15(7-9-16)19-20(29)23(2,3)31-27-19;2*1-15-6-4-13-25-21(15)27(18-7-5-12-24-14-18)22(29)17-10-8-16(9-11-17)19-20(28)23(2,3)30-26-19;1-22(2)20(27)19(25-29-22)15-8-10-16(11-9-15)21(28)26(17-6-5-12-23-14-17)18-7-3-4-13-24-18/h5-6,8,10-14,21,26H,2,7,9,15-16H2,1,3-4H3;3*5,7,9-12,14,19,21,25H,6,8,13,15H2,1-4H3;6-9,11-12,18,25H,4-5,10,13H2,1-3H3;2*4,6,8-11,13,18,24H,5,7,12,14H2,1-3H3;3-4,7-11,13,17,20,23,27H,5-6,12,14H2,1-2H3/t21-;19-,21?;19-,21+;19-,21-;3*18-;17-,20?/m11111111/s1.
What are the key properties of 5,5-dimethyl-3-[4-[1-(2-methyl-N-[(3R)-piperidin-3-yl]anilino)ethenyl]phenyl]-1,2-oxazol-4-one;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(5-fluoro-3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide;bis(4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide);4-(4-hydroxy-5,5-dimethyl-4H-1,2-oxazol-3-yl)-N-[(3R)-piperidin-3-yl]-N-pyridin-2-ylbenzamide;4-[(4S)-4-methoxy-5,5-dimethyl-4H-1,2-oxazol-3-yl]-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide;4-[(4R)-4-methoxy-5,5-dimethyl-4H-1,2-oxazol-3-yl]-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide;4-(4-methoxy-5,5-dimethyl-4H-1,2-oxazol-3-yl)-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide?
5,5-dimethyl-3-[4-[1-(2-methyl-N-[(3R)-piperidin-3-yl]anilino)ethenyl]phenyl]-1,2-oxazol-4-one;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(5-fluoro-3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide;bis(4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide);4-(4-hydroxy-5,5-dimethyl-4H-1,2-oxazol-3-yl)-N-[(3R)-piperidin-3-yl]-N-pyridin-2-ylbenzamide;4-[(4S)-4-methoxy-5,5-dimethyl-4H-1,2-oxazol-3-yl]-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide;4-[(4R)-4-methoxy-5,5-dimethyl-4H-1,2-oxazol-3-yl]-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide;4-(4-methoxy-5,5-dimethyl-4H-1,2-oxazol-3-yl)-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide has a molecular weight of 3303.04 g/mol, XLogP of 25.36, 36 rotatable bonds, 9 hydrogen bond donors, and 47 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-3-[4-[1-(2-methyl-N-[(3R)-piperidin-3-yl]anilino)ethenyl]phenyl]-1,2-oxazol-4-one;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(5-fluoro-3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide;bis(4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide);4-(4-hydroxy-5,5-dimethyl-4H-1,2-oxazol-3-yl)-N-[(3R)-piperidin-3-yl]-N-pyridin-2-ylbenzamide;4-[(4S)-4-methoxy-5,5-dimethyl-4H-1,2-oxazol-3-yl]-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide;4-[(4R)-4-methoxy-5,5-dimethyl-4H-1,2-oxazol-3-yl]-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide;4-(4-methoxy-5,5-dimethyl-4H-1,2-oxazol-3-yl)-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide is sourced from PubChem (CID 159048590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 159048590 — identifiers, structure, computed properties (public domain)
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