5-(3,4-difluoro-5-methylphenyl)-2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;5-(3-fluoro-5-methylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;5-(3-fluoro-5-methylphenyl)-2-pyrazin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;bis(5-(4-fluoro-3-methylphenyl)-2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine);5-phenyl-2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;2-pyridin-2-yl-5-pyridin-3-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;2-pyridin-2-yl-5-pyrimidin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine
C136H120F6N28O8S — CID 159723256
Data last refreshed: (MolForge compound catalog, from PubChem)
About 5-(3,4-difluoro-5-methylphenyl)-2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;5-(3-fluoro-5-methylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;5-(3-fluoro-5-methylphenyl)-2-pyrazin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;bis(5-(4-fluoro-3-methylphenyl)-2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine);5-phenyl-2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;2-pyridin-2-yl-5-pyridin-3-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;2-pyridin-2-yl-5-pyrimidin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine
5-(3,4-difluoro-5-methylphenyl)-2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;5-(3-fluoro-5-methylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;5-(3-fluoro-5-methylphenyl)-2-pyrazin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;bis(5-(4-fluoro-3-methylphenyl)-2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine);5-phenyl-2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;2-pyridin-2-yl-5-pyridin-3-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;2-pyridin-2-yl-5-pyrimidin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine (PubChem CID 159723256) has the molecular formula C136H120F6N28O8S and a molecular weight of 2420.70 g/mol. Its IUPAC name is 5-(3,4-difluoro-5-methylphenyl)-2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;5-(3-fluoro-5-methylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;5-(3-fluoro-5-methylphenyl)-2-pyrazin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;bis(5-(4-fluoro-3-methylphenyl)-2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine);5-phenyl-2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;2-pyridin-2-yl-5-pyridin-3-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;2-pyridin-2-yl-5-pyrimidin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine.
Molecular Properties
| Compound Name | 5-(3,4-difluoro-5-methylphenyl)-2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;5-(3-fluoro-5-methylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;5-(3-fluoro-5-methylphenyl)-2-pyrazin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;bis(5-(4-fluoro-3-methylphenyl)-2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine);5-phenyl-2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;2-pyridin-2-yl-5-pyridin-3-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;2-pyridin-2-yl-5-pyrimidin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine |
|---|---|
| PubChem CID | 159723256 |
| Molecular Formula | C136H120F6N28O8S |
| Molecular Weight | 2420.70 g/mol |
| Exact Mass | 2418.95 |
| IUPAC Name | 5-(3,4-difluoro-5-methylphenyl)-2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;5-(3-fluoro-5-methylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;5-(3-fluoro-5-methylphenyl)-2-pyrazin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;bis(5-(4-fluoro-3-methylphenyl)-2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine);5-phenyl-2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;2-pyridin-2-yl-5-pyridin-3-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;2-pyridin-2-yl-5-pyrimidin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine |
| SMILES | Cc1cc(F)cc(N2CCc3oc(-c4cnccn4)nc3C2)c1.Cc1cc(F)cc(N2CCc3oc(-c4csc(C)n4)nc3C2)c1.Cc1cc(N2CCc3oc(-c4ccccn4)nc3C2)cc(F)c1F.Cc1cc(N2CCc3oc(-c4ccccn4)nc3C2)ccc1F.Cc1cc(N2CCc3oc(-c4ccccn4)nc3C2)ccc1F.c1ccc(-c2nc3c(o2)CCN(c2cccnc2)C3)nc1.c1ccc(-c2nc3c(o2)CCN(c2ncccn2)C3)nc1.c1ccc(N2CCc3oc(-c4ccccn4)nc3C2)cc1 |
| InChI | InChI=1S/C18H15F2N3O.2C18H16FN3O.C17H15FN4O.C17H16FN3OS.C17H15N3O.C16H14N4O.C15H13N5O/c1-11-8-12(9-13(19)17(11)20)23-7-5-16-15(10-23)22-18(24-16)14-4-2-3-6-21-14;2*1-12-10-13(5-6-14(12)19)22-9-7-17-16(11-22)21-18(23-17)15-4-2-3-8-20-15;1-11-6-12(18)8-13(7-11)22-5-2-16-15(10-22)21-17(23-16)14-9-19-3-4-20-14;1-10-5-12(18)7-13(6-10)21-4-3-16-14(8-21)20-17(22-16)15-9-23-11(2)19-15;1-2-6-13(7-3-1)20-11-9-16-15(12-20)19-17(21-16)14-8-4-5-10-18-14;1-2-8-18-13(5-1)16-19-14-11-20(9-6-15(14)21-16)12-4-3-7-17-10-12;1-2-6-16-11(4-1)14-19-12-10-20(9-5-13(12)21-14)15-17-7-3-8-18-15/h2-4,6,8-9H,5,7,10H2,1H3;2*2-6,8,10H,7,9,11H2,1H3;3-4,6-9H,2,5,10H2,1H3;5-7,9H,3-4,8H2,1-2H3;1-8,10H,9,11-12H2;1-5,7-8,10H,6,9,11H2;1-4,6-8H,5,9-10H2 |
| InChIKey | NAHTXQOGJQXPCZ-UHFFFAOYSA-N |
| XLogP | 26.72 |
| TPSA | 388.84 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 37 |
| Rotatable Bonds | 16 |
| Heavy Atoms | 179 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2420.70 |
| LogP ≤ 5 | 26.72 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 37 |
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Sources
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