5-(5-fluoro-4-methylpyrimidin-2-yl)-2-(phenoxymethyl)-6,7-dihydro-[1,3]oxazolo[5,4-c]pyridin-4-one;5-(3-methoxy-2-pyridinyl)-2-(phenoxymethyl)-6,7-dihydro-[1,3]oxazolo[5,4-c]pyridin-4-one;bis(5-(6-methylpyrazin-2-yl)-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;5-(2-methylpyrimidin-4-yl)-2-(phenoxymethyl)-6,7-dihydro-[1,3]oxazolo[5,4-c]pyridin-4-one

C110H97FN22O19 — CID 159657138

About 5-(5-fluoro-4-methylpyrimidin-2-yl)-2-(phenoxymethyl)-6,7-dihydro-[1,3]oxazolo[5,4-c]pyridin-4-one;5-(3-methoxy-2-pyridinyl)-2-(phenoxymethyl)-6,7-dihydro-[1,3]oxazolo[5,4-c]pyridin-4-one;bis(5-(6-methylpyrazin-2-yl)-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;5-(2-methylpyrimidin-4-yl)-2-(phenoxymethyl)-6,7-dihydro-[1,3]oxazolo[5,4-c]pyridin-4-one

5-(5-fluoro-4-methylpyrimidin-2-yl)-2-(phenoxymethyl)-6,7-dihydro-[1,3]oxazolo[5,4-c]pyridin-4-one;5-(3-methoxy-2-pyridinyl)-2-(phenoxymethyl)-6,7-dihydro-[1,3]oxazolo[5,4-c]pyridin-4-one;bis(5-(6-methylpyrazin-2-yl)-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;5-(2-methylpyrimidin-4-yl)-2-(phenoxymethyl)-6,7-dihydro-[1,3]oxazolo[5,4-c]pyridin-4-one (PubChem CID 159657138) has the molecular formula C110H97FN22O19 and a molecular weight of 2050.12 g/mol. Its IUPAC name is 5-(5-fluoro-4-methylpyrimidin-2-yl)-2-(phenoxymethyl)-6,7-dihydro-[1,3]oxazolo[5,4-c]pyridin-4-one;5-(3-methoxy-2-pyridinyl)-2-(phenoxymethyl)-6,7-dihydro-[1,3]oxazolo[5,4-c]pyridin-4-one;bis(5-(6-methylpyrazin-2-yl)-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;5-(2-methylpyrimidin-4-yl)-2-(phenoxymethyl)-6,7-dihydro-[1,3]oxazolo[5,4-c]pyridin-4-one.

Molecular Properties

• Compound Name: 5-(5-fluoro-4-methylpyrimidin-2-yl)-2-(phenoxymethyl)-6,7-dihydro-[1,3]oxazolo[5,4-c]pyridin-4-one;5-(3-methoxy-2-pyridinyl)-2-(phenoxymethyl)-6,7-dihydro-[1,3]oxazolo[5,4-c]pyridin-4-one;bis(5-(6-methylpyrazin-2-yl)-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;5-(2-methylpyrimidin-4-yl)-2-(phenoxymethyl)-6,7-dihydro-[1,3]oxazolo[5,4-c]pyridin-4-one
• PubChem CID: 159657138
• Molecular Formula: C110H97FN22O19
• Molecular Weight: 2050.12 g/mol
• Exact Mass: 2048.73
• IUPAC Name: 5-(5-fluoro-4-methylpyrimidin-2-yl)-2-(phenoxymethyl)-6,7-dihydro-[1,3]oxazolo[5,4-c]pyridin-4-one;5-(3-methoxy-2-pyridinyl)-2-(phenoxymethyl)-6,7-dihydro-[1,3]oxazolo[5,4-c]pyridin-4-one;bis(5-(6-methylpyrazin-2-yl)-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;5-(2-methylpyrimidin-4-yl)-2-(phenoxymethyl)-6,7-dihydro-[1,3]oxazolo[5,4-c]pyridin-4-one
• SMILES: COc1cccnc1N1CCc2nc(COc3ccccc3)oc2C1=O.Cc1ccnc(N2CCc3nc(COc4ccccc4)oc3C2=O)c1.Cc1cncc(N2CCc3nc(COc4ccccc4)oc3C2=O)n1.Cc1cncc(N2CCc3nc(COc4ccccc4)oc3C2=O)n1.Cc1nc(N2CCc3nc(COc4ccccc4)oc3C2=O)ncc1F.Cc1nccc(N2CCc3nc(COc4ccccc4)oc3C2=O)n1
• InChI: InChI=1S/C19H17N3O4.C19H17N3O3.C18H15FN4O3.3C18H16N4O3/c1-24-15-8-5-10-20-18(15)22-11-9-14-17(19(22)23)26-16(21-14)12-25-13-6-3-2-4-7-13;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;1-11-13(19)9-20-18(21-11)23-8-7-14-16(17(23)24)26-15(22-14)10-25-12-5-3-2-4-6-12;1-12-19-9-7-15(20-12)22-10-8-14-17(18(22)23)25-16(21-14)11-24-13-5-3-2-4-6-13;2*1-12-9-19-10-15(20-12)22-8-7-14-17(18(22)23)25-16(21-14)11-24-13-5-3-2-4-6-13/h2-8,10H,9,11-12H2,1H3;2-7,9,11H,8,10,12H2,1H3;2-6,9H,7-8,10H2,1H3;2-7,9H,8,10-11H2,1H3;2*2-6,9-10H,7-8,11H2,1H3
• InChIKey: MSHYTMRRWCIFEO-UHFFFAOYSA-N
• XLogP: 16.38
• TPSA: 471.55 Ų
• H-Bond Acceptors: 35
• Rotatable Bonds: 25
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2050.12
LogP ≤ 5	16.38
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	35

Frequently Asked Questions

What is the IUPAC name of 5-(5-fluoro-4-methylpyrimidin-2-yl)-2-(phenoxymethyl)-6,7-dihydro-[1,3]oxazolo[5,4-c]pyridin-4-one;5-(3-methoxy-2-pyridinyl)-2-(phenoxymethyl)-6,7-dihydro-[1,3]oxazolo[5,4-c]pyridin-4-one;bis(5-(6-methylpyrazin-2-yl)-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;5-(2-methylpyrimidin-4-yl)-2-(phenoxymethyl)-6,7-dihydro-[1,3]oxazolo[5,4-c]pyridin-4-one?

The IUPAC name of 5-(5-fluoro-4-methylpyrimidin-2-yl)-2-(phenoxymethyl)-6,7-dihydro-[1,3]oxazolo[5,4-c]pyridin-4-one;5-(3-methoxy-2-pyridinyl)-2-(phenoxymethyl)-6,7-dihydro-[1,3]oxazolo[5,4-c]pyridin-4-one;bis(5-(6-methylpyrazin-2-yl)-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;5-(2-methylpyrimidin-4-yl)-2-(phenoxymethyl)-6,7-dihydro-[1,3]oxazolo[5,4-c]pyridin-4-one (CID 159657138) is 5-(5-fluoro-4-methylpyrimidin-2-yl)-2-(phenoxymethyl)-6,7-dihydro-[1,3]oxazolo[5,4-c]pyridin-4-one;5-(3-methoxy-2-pyridinyl)-2-(phenoxymethyl)-6,7-dihydro-[1,3]oxazolo[5,4-c]pyridin-4-one;bis(5-(6-methylpyrazin-2-yl)-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;5-(2-methylpyrimidin-4-yl)-2-(phenoxymethyl)-6,7-dihydro-[1,3]oxazolo[5,4-c]pyridin-4-one.

What is the SMILES notation for 5-(5-fluoro-4-methylpyrimidin-2-yl)-2-(phenoxymethyl)-6,7-dihydro-[1,3]oxazolo[5,4-c]pyridin-4-one;5-(3-methoxy-2-pyridinyl)-2-(phenoxymethyl)-6,7-dihydro-[1,3]oxazolo[5,4-c]pyridin-4-one;bis(5-(6-methylpyrazin-2-yl)-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;5-(2-methylpyrimidin-4-yl)-2-(phenoxymethyl)-6,7-dihydro-[1,3]oxazolo[5,4-c]pyridin-4-one?

The canonical SMILES for 5-(5-fluoro-4-methylpyrimidin-2-yl)-2-(phenoxymethyl)-6,7-dihydro-[1,3]oxazolo[5,4-c]pyridin-4-one;5-(3-methoxy-2-pyridinyl)-2-(phenoxymethyl)-6,7-dihydro-[1,3]oxazolo[5,4-c]pyridin-4-one;bis(5-(6-methylpyrazin-2-yl)-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;5-(2-methylpyrimidin-4-yl)-2-(phenoxymethyl)-6,7-dihydro-[1,3]oxazolo[5,4-c]pyridin-4-one is COc1cccnc1N1CCc2nc(COc3ccccc3)oc2C1=O.Cc1ccnc(N2CCc3nc(COc4ccccc4)oc3C2=O)c1.Cc1cncc(N2CCc3nc(COc4ccccc4)oc3C2=O)n1.Cc1cncc(N2CCc3nc(COc4ccccc4)oc3C2=O)n1.Cc1nc(N2CCc3nc(COc4ccccc4)oc3C2=O)ncc1F.Cc1nccc(N2CCc3nc(COc4ccccc4)oc3C2=O)n1.

What is the InChIKey of 5-(5-fluoro-4-methylpyrimidin-2-yl)-2-(phenoxymethyl)-6,7-dihydro-[1,3]oxazolo[5,4-c]pyridin-4-one;5-(3-methoxy-2-pyridinyl)-2-(phenoxymethyl)-6,7-dihydro-[1,3]oxazolo[5,4-c]pyridin-4-one;bis(5-(6-methylpyrazin-2-yl)-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;5-(2-methylpyrimidin-4-yl)-2-(phenoxymethyl)-6,7-dihydro-[1,3]oxazolo[5,4-c]pyridin-4-one?

The InChIKey is MSHYTMRRWCIFEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O4.C19H17N3O3.C18H15FN4O3.3C18H16N4O3/c1-24-15-8-5-10-20-18(15)22-11-9-14-17(19(22)23)26-16(21-14)12-25-13-6-3-2-4-7-13;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;1-11-13(19)9-20-18(21-11)23-8-7-14-16(17(23)24)26-15(22-14)10-25-12-5-3-2-4-6-12;1-12-19-9-7-15(20-12)22-10-8-14-17(18(22)23)25-16(21-14)11-24-13-5-3-2-4-6-13;2*1-12-9-19-10-15(20-12)22-8-7-14-17(18(22)23)25-16(21-14)11-24-13-5-3-2-4-6-13/h2-8,10H,9,11-12H2,1H3;2-7,9,11H,8,10,12H2,1H3;2-6,9H,7-8,10H2,1H3;2-7,9H,8,10-11H2,1H3;2*2-6,9-10H,7-8,11H2,1H3.

What are the key properties of 5-(5-fluoro-4-methylpyrimidin-2-yl)-2-(phenoxymethyl)-6,7-dihydro-[1,3]oxazolo[5,4-c]pyridin-4-one;5-(3-methoxy-2-pyridinyl)-2-(phenoxymethyl)-6,7-dihydro-[1,3]oxazolo[5,4-c]pyridin-4-one;bis(5-(6-methylpyrazin-2-yl)-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;5-(2-methylpyrimidin-4-yl)-2-(phenoxymethyl)-6,7-dihydro-[1,3]oxazolo[5,4-c]pyridin-4-one?

5-(5-fluoro-4-methylpyrimidin-2-yl)-2-(phenoxymethyl)-6,7-dihydro-[1,3]oxazolo[5,4-c]pyridin-4-one;5-(3-methoxy-2-pyridinyl)-2-(phenoxymethyl)-6,7-dihydro-[1,3]oxazolo[5,4-c]pyridin-4-one;bis(5-(6-methylpyrazin-2-yl)-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;5-(2-methylpyrimidin-4-yl)-2-(phenoxymethyl)-6,7-dihydro-[1,3]oxazolo[5,4-c]pyridin-4-one has a molecular weight of 2050.12 g/mol, XLogP of 16.38, 25 rotatable bonds, 0 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(5-fluoro-4-methylpyrimidin-2-yl)-2-(phenoxymethyl)-6,7-dihydro-[1,3]oxazolo[5,4-c]pyridin-4-one;5-(3-methoxy-2-pyridinyl)-2-(phenoxymethyl)-6,7-dihydro-[1,3]oxazolo[5,4-c]pyridin-4-one;bis(5-(6-methylpyrazin-2-yl)-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;5-(2-methylpyrimidin-4-yl)-2-(phenoxymethyl)-6,7-dihydro-[1,3]oxazolo[5,4-c]pyridin-4-one is sourced from PubChem (CID 159657138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).