C70H90BCl3F3N13O13 — CID 159245164
3-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-1,3-oxazolidin-2-one;4-(4,6-dichloro-2-pyridinyl)morpholine;(3R)-3-ethyl-N-[4-methyl-3-[2-morpholin-4-yl-6-(2-oxo-1,3-oxazolidin-3-yl)-4-pyridinyl]phenyl]pyrrolidine-1-carboxamide;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;1,3-oxazolidin-2-one (PubChem CID 159245164) has the molecular formula C70H90BCl3F3N13O13 and a molecular weight of 1495.73 g/mol. Its IUPAC name is 3-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-1,3-oxazolidin-2-one;4-(4,6-dichloro-2-pyridinyl)morpholine;(3R)-3-ethyl-N-[4-methyl-3-[2-morpholin-4-yl-6-(2-oxo-1,3-oxazolidin-3-yl)-4-pyridinyl]phenyl]pyrrolidine-1-carboxamide;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;1,3-oxazolidin-2-one.
| Compound Name | 3-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-1,3-oxazolidin-2-one;4-(4,6-dichloro-2-pyridinyl)morpholine;(3R)-3-ethyl-N-[4-methyl-3-[2-morpholin-4-yl-6-(2-oxo-1,3-oxazolidin-3-yl)-4-pyridinyl]phenyl]pyrrolidine-1-carboxamide;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;1,3-oxazolidin-2-one |
|---|---|
| PubChem CID | 159245164 |
| Molecular Formula | C70H90BCl3F3N13O13 |
| Molecular Weight | 1495.73 g/mol |
| Exact Mass | 1493.59 |
| IUPAC Name | 3-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-1,3-oxazolidin-2-one;4-(4,6-dichloro-2-pyridinyl)morpholine;(3R)-3-ethyl-N-[4-methyl-3-[2-morpholin-4-yl-6-(2-oxo-1,3-oxazolidin-3-yl)-4-pyridinyl]phenyl]pyrrolidine-1-carboxamide;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;1,3-oxazolidin-2-one |
| SMILES | CC[C@@H]1CCN(C(=O)Nc2ccc(C)c(-c3cc(N4CCOCC4)nc(N4CCOC4=O)c3)c2)C1.Cc1ccc(NC(=O)N2CC[C@@H](CC(F)(F)F)C2)cc1B1OC(C)(C)C(C)(C)O1.Clc1cc(Cl)nc(N2CCOCC2)c1.O=C1NCCO1.O=C1OCCN1c1cc(Cl)cc(N2CCOCC2)n1 |
| InChI | InChI=1S/C26H33N5O4.C20H28BF3N2O3.C12H14ClN3O3.C9H10Cl2N2O.C3H5NO2/c1-3-19-6-7-30(17-19)25(32)27-21-5-4-18(2)22(16-21)20-14-23(29-8-11-34-12-9-29)28-24(15-20)31-10-13-35-26(31)33;1-13-6-7-15(10-16(13)21-28-18(2,3)19(4,5)29-21)25-17(27)26-9-8-14(12-26)11-20(22,23)24;13-9-7-10(15-1-4-18-5-2-15)14-11(8-9)16-3-6-19-12(16)17;10-7-5-8(11)12-9(6-7)13-1-3-14-4-2-13;5-3-4-1-2-6-3/h4-5,14-16,19H,3,6-13,17H2,1-2H3,(H,27,32);6-7,10,14H,8-9,11-12H2,1-5H3,(H,25,27);7-8H,1-6H2;5-6H,1-4H2;1-2H2,(H,4,5)/t19-;14-;;;/m10.../s1 |
| InChIKey | KUOYLTIFVAGEST-HPEIDVIOSA-N |
| XLogP | 11.69 |
| TPSA | 256.63 Ų |
| H-Bond Donors | 3 |
| H-Bond Acceptors | 19 |
| Rotatable Bonds | 11 |
| Heavy Atoms | 103 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1495.73 |
| LogP ≤ 5 | 11.69 |
| H-Bond Donors ≤ 5 | 3 |
| H-Bond Acceptors ≤ 10 | 19 |
| Structural Alerts | {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'} |
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