5-(3-methyl-2-pyridinyl)-2-(phenoxymethyl)-6,7-dihydro-[1,3]oxazolo[5,4-c]pyridin-4-one;5-(4-methyl-2-pyridinyl)-2-(phenoxymethyl)-6,7-dihydro-[1,3]oxazolo[5,4-c]pyridin-4-one;bis(5-(5-methyl-2-pyridinyl)-2-(phenoxymethyl)-6,7-dihydro-[1,3]oxazolo[5,4-c]pyridin-4-one);5-(5-methyl-3-pyridinyl)-2-(phenoxymethyl)-6,7-dihydro-[1,3]oxazolo[5,4-c]pyridin-4-one;5-(6-methyl-2-pyridinyl)-2-(phenoxymethyl)-6,7-dihydro-[1,3]oxazolo[5,4-c]pyridin-4-one;bis(2-(phenoxymethyl)-5-phenyl-6,7-dihydro-[1,3]oxazolo[5,4-c]pyridin-4-one);2-(phenoxymethyl)-5-pyridin-3-yl-6,7-dihydro-[1,3]oxazolo[5,4-c]pyridin-4-one
C170H149N25O27 — CID 157387549
Data last refreshed: (MolForge compound catalog, from PubChem)
About 5-(3-methyl-2-pyridinyl)-2-(phenoxymethyl)-6,7-dihydro-[1,3]oxazolo[5,4-c]pyridin-4-one;5-(4-methyl-2-pyridinyl)-2-(phenoxymethyl)-6,7-dihydro-[1,3]oxazolo[5,4-c]pyridin-4-one;bis(5-(5-methyl-2-pyridinyl)-2-(phenoxymethyl)-6,7-dihydro-[1,3]oxazolo[5,4-c]pyridin-4-one);5-(5-methyl-3-pyridinyl)-2-(phenoxymethyl)-6,7-dihydro-[1,3]oxazolo[5,4-c]pyridin-4-one;5-(6-methyl-2-pyridinyl)-2-(phenoxymethyl)-6,7-dihydro-[1,3]oxazolo[5,4-c]pyridin-4-one;bis(2-(phenoxymethyl)-5-phenyl-6,7-dihydro-[1,3]oxazolo[5,4-c]pyridin-4-one);2-(phenoxymethyl)-5-pyridin-3-yl-6,7-dihydro-[1,3]oxazolo[5,4-c]pyridin-4-one
5-(3-methyl-2-pyridinyl)-2-(phenoxymethyl)-6,7-dihydro-[1,3]oxazolo[5,4-c]pyridin-4-one;5-(4-methyl-2-pyridinyl)-2-(phenoxymethyl)-6,7-dihydro-[1,3]oxazolo[5,4-c]pyridin-4-one;bis(5-(5-methyl-2-pyridinyl)-2-(phenoxymethyl)-6,7-dihydro-[1,3]oxazolo[5,4-c]pyridin-4-one);5-(5-methyl-3-pyridinyl)-2-(phenoxymethyl)-6,7-dihydro-[1,3]oxazolo[5,4-c]pyridin-4-one;5-(6-methyl-2-pyridinyl)-2-(phenoxymethyl)-6,7-dihydro-[1,3]oxazolo[5,4-c]pyridin-4-one;bis(2-(phenoxymethyl)-5-phenyl-6,7-dihydro-[1,3]oxazolo[5,4-c]pyridin-4-one);2-(phenoxymethyl)-5-pyridin-3-yl-6,7-dihydro-[1,3]oxazolo[5,4-c]pyridin-4-one (PubChem CID 157387549) has the molecular formula C170H149N25O27 and a molecular weight of 2974.21 g/mol. Its IUPAC name is 5-(3-methyl-2-pyridinyl)-2-(phenoxymethyl)-6,7-dihydro-[1,3]oxazolo[5,4-c]pyridin-4-one;5-(4-methyl-2-pyridinyl)-2-(phenoxymethyl)-6,7-dihydro-[1,3]oxazolo[5,4-c]pyridin-4-one;bis(5-(5-methyl-2-pyridinyl)-2-(phenoxymethyl)-6,7-dihydro-[1,3]oxazolo[5,4-c]pyridin-4-one);5-(5-methyl-3-pyridinyl)-2-(phenoxymethyl)-6,7-dihydro-[1,3]oxazolo[5,4-c]pyridin-4-one;5-(6-methyl-2-pyridinyl)-2-(phenoxymethyl)-6,7-dihydro-[1,3]oxazolo[5,4-c]pyridin-4-one;bis(2-(phenoxymethyl)-5-phenyl-6,7-dihydro-[1,3]oxazolo[5,4-c]pyridin-4-one);2-(phenoxymethyl)-5-pyridin-3-yl-6,7-dihydro-[1,3]oxazolo[5,4-c]pyridin-4-one.
Molecular Properties
| Compound Name | 5-(3-methyl-2-pyridinyl)-2-(phenoxymethyl)-6,7-dihydro-[1,3]oxazolo[5,4-c]pyridin-4-one;5-(4-methyl-2-pyridinyl)-2-(phenoxymethyl)-6,7-dihydro-[1,3]oxazolo[5,4-c]pyridin-4-one;bis(5-(5-methyl-2-pyridinyl)-2-(phenoxymethyl)-6,7-dihydro-[1,3]oxazolo[5,4-c]pyridin-4-one);5-(5-methyl-3-pyridinyl)-2-(phenoxymethyl)-6,7-dihydro-[1,3]oxazolo[5,4-c]pyridin-4-one;5-(6-methyl-2-pyridinyl)-2-(phenoxymethyl)-6,7-dihydro-[1,3]oxazolo[5,4-c]pyridin-4-one;bis(2-(phenoxymethyl)-5-phenyl-6,7-dihydro-[1,3]oxazolo[5,4-c]pyridin-4-one);2-(phenoxymethyl)-5-pyridin-3-yl-6,7-dihydro-[1,3]oxazolo[5,4-c]pyridin-4-one |
|---|---|
| PubChem CID | 157387549 |
| Molecular Formula | C170H149N25O27 |
| Molecular Weight | 2974.21 g/mol |
| Exact Mass | 2972.11 |
| IUPAC Name | 5-(3-methyl-2-pyridinyl)-2-(phenoxymethyl)-6,7-dihydro-[1,3]oxazolo[5,4-c]pyridin-4-one;5-(4-methyl-2-pyridinyl)-2-(phenoxymethyl)-6,7-dihydro-[1,3]oxazolo[5,4-c]pyridin-4-one;bis(5-(5-methyl-2-pyridinyl)-2-(phenoxymethyl)-6,7-dihydro-[1,3]oxazolo[5,4-c]pyridin-4-one);5-(5-methyl-3-pyridinyl)-2-(phenoxymethyl)-6,7-dihydro-[1,3]oxazolo[5,4-c]pyridin-4-one;5-(6-methyl-2-pyridinyl)-2-(phenoxymethyl)-6,7-dihydro-[1,3]oxazolo[5,4-c]pyridin-4-one;bis(2-(phenoxymethyl)-5-phenyl-6,7-dihydro-[1,3]oxazolo[5,4-c]pyridin-4-one);2-(phenoxymethyl)-5-pyridin-3-yl-6,7-dihydro-[1,3]oxazolo[5,4-c]pyridin-4-one |
| SMILES | Cc1ccc(N2CCc3nc(COc4ccccc4)oc3C2=O)nc1.Cc1ccc(N2CCc3nc(COc4ccccc4)oc3C2=O)nc1.Cc1cccc(N2CCc3nc(COc4ccccc4)oc3C2=O)n1.Cc1cccnc1N1CCc2nc(COc3ccccc3)oc2C1=O.Cc1ccnc(N2CCc3nc(COc4ccccc4)oc3C2=O)c1.Cc1cncc(N2CCc3nc(COc4ccccc4)oc3C2=O)c1.O=C1c2oc(COc3ccccc3)nc2CCN1c1ccccc1.O=C1c2oc(COc3ccccc3)nc2CCN1c1ccccc1.O=C1c2oc(COc3ccccc3)nc2CCN1c1cccnc1 |
| InChI | InChI=1S/6C19H17N3O3.2C19H16N2O3.C18H15N3O3/c1-13-6-5-10-20-18(13)22-11-9-15-17(19(22)23)25-16(21-15)12-24-14-7-3-2-4-8-14;1-13-6-5-9-16(20-13)22-11-10-15-18(19(22)23)25-17(21-15)12-24-14-7-3-2-4-8-14;1-13-7-9-20-16(11-13)22-10-8-15-18(19(22)23)25-17(21-15)12-24-14-5-3-2-4-6-14;1-13-9-14(11-20-10-13)22-8-7-16-18(19(22)23)25-17(21-16)12-24-15-5-3-2-4-6-15;2*1-13-7-8-16(20-11-13)22-10-9-15-18(19(22)23)25-17(21-15)12-24-14-5-3-2-4-6-14;2*22-19-18-16(11-12-21(19)14-7-3-1-4-8-14)20-17(24-18)13-23-15-9-5-2-6-10-15;22-18-17-15(8-10-21(18)13-5-4-9-19-11-13)20-16(24-17)12-23-14-6-2-1-3-7-14/h2-8,10H,9,11-12H2,1H3;2-9H,10-12H2,1H3;2-7,9,11H,8,10,12H2,1H3;2-6,9-11H,7-8,12H2,1H3;2*2-8,11H,9-10,12H2,1H3;2*1-10H,11-13H2;1-7,9,11H,8,10,12H2 |
| InChIKey | BLPLZWFRFNJTQT-UHFFFAOYSA-N |
| XLogP | 28.72 |
| TPSA | 590.36 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 43 |
| Rotatable Bonds | 36 |
| Heavy Atoms | 222 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2974.21 |
| LogP ≤ 5 | 28.72 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 43 |
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Sources
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