bis(5-(3-fluoro-5-methylphenyl)-2-pyridin-2-yl-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]oxazole);2-(5-fluoro-2-pyridinyl)-5-(3-methylphenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]oxazole;5-(6-methoxy-2-pyridinyl)-2-pyridin-2-yl-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]oxazole;tris(5-(3-methylphenyl)-2-pyridin-2-yl-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]oxazole);5-(5-methyl-3-pyridinyl)-2-pyridin-2-yl-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]oxazole

C158H155F3N18O9 — CID 158459082

About bis(5-(3-fluoro-5-methylphenyl)-2-pyridin-2-yl-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]oxazole);2-(5-fluoro-2-pyridinyl)-5-(3-methylphenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]oxazole;5-(6-methoxy-2-pyridinyl)-2-pyridin-2-yl-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]oxazole;tris(5-(3-methylphenyl)-2-pyridin-2-yl-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]oxazole);5-(5-methyl-3-pyridinyl)-2-pyridin-2-yl-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]oxazole

bis(5-(3-fluoro-5-methylphenyl)-2-pyridin-2-yl-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]oxazole);2-(5-fluoro-2-pyridinyl)-5-(3-methylphenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]oxazole;5-(6-methoxy-2-pyridinyl)-2-pyridin-2-yl-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]oxazole;tris(5-(3-methylphenyl)-2-pyridin-2-yl-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]oxazole);5-(5-methyl-3-pyridinyl)-2-pyridin-2-yl-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]oxazole (PubChem CID 158459082) has the molecular formula C158H155F3N18O9 and a molecular weight of 2507.09 g/mol. Its IUPAC name is bis(5-(3-fluoro-5-methylphenyl)-2-pyridin-2-yl-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]oxazole);2-(5-fluoro-2-pyridinyl)-5-(3-methylphenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]oxazole;5-(6-methoxy-2-pyridinyl)-2-pyridin-2-yl-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]oxazole;tris(5-(3-methylphenyl)-2-pyridin-2-yl-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]oxazole);5-(5-methyl-3-pyridinyl)-2-pyridin-2-yl-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]oxazole.

Molecular Properties

• Compound Name: bis(5-(3-fluoro-5-methylphenyl)-2-pyridin-2-yl-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]oxazole);2-(5-fluoro-2-pyridinyl)-5-(3-methylphenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]oxazole;5-(6-methoxy-2-pyridinyl)-2-pyridin-2-yl-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]oxazole;tris(5-(3-methylphenyl)-2-pyridin-2-yl-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]oxazole);5-(5-methyl-3-pyridinyl)-2-pyridin-2-yl-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]oxazole
• PubChem CID: 158459082
• Molecular Formula: C158H155F3N18O9
• Molecular Weight: 2507.09 g/mol
• Exact Mass: 2505.22
• IUPAC Name: bis(5-(3-fluoro-5-methylphenyl)-2-pyridin-2-yl-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]oxazole);2-(5-fluoro-2-pyridinyl)-5-(3-methylphenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]oxazole;5-(6-methoxy-2-pyridinyl)-2-pyridin-2-yl-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]oxazole;tris(5-(3-methylphenyl)-2-pyridin-2-yl-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]oxazole);5-(5-methyl-3-pyridinyl)-2-pyridin-2-yl-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]oxazole
• SMILES: COc1cccc(C2CCCc3oc(-c4ccccn4)nc3C2)n1.Cc1cc(F)cc(C2CCCc3oc(-c4ccccn4)nc3C2)c1.Cc1cc(F)cc(C2CCCc3oc(-c4ccccn4)nc3C2)c1.Cc1cccc(C2CCCc3oc(-c4ccc(F)cn4)nc3C2)c1.Cc1cccc(C2CCCc3oc(-c4ccccn4)nc3C2)c1.Cc1cccc(C2CCCc3oc(-c4ccccn4)nc3C2)c1.Cc1cccc(C2CCCc3oc(-c4ccccn4)nc3C2)c1.Cc1cncc(C2CCCc3oc(-c4ccccn4)nc3C2)c1
• InChI: InChI=1S/3C20H19FN2O.3C20H20N2O.C19H19N3O2.C19H19N3O/c1-13-4-2-5-14(10-13)15-6-3-7-19-18(11-15)23-20(24-19)17-9-8-16(21)12-22-17;2*1-13-9-15(11-16(21)10-13)14-5-4-7-19-18(12-14)23-20(24-19)17-6-2-3-8-22-17;3*1-14-6-4-7-15(12-14)16-8-5-10-19-18(13-16)22-20(23-19)17-9-2-3-11-21-17;1-23-18-10-5-8-14(21-18)13-6-4-9-17-16(12-13)22-19(24-17)15-7-2-3-11-20-15;1-13-9-15(12-20-11-13)14-5-4-7-18-17(10-14)22-19(23-18)16-6-2-3-8-21-16/h2,4-5,8-10,12,15H,3,6-7,11H2,1H3;2*2-3,6,8-11,14H,4-5,7,12H2,1H3;3*2-4,6-7,9,11-12,16H,5,8,10,13H2,1H3;2-3,5,7-8,10-11,13H,4,6,9,12H2,1H3;2-3,6,8-9,11-12,14H,4-5,7,10H2,1H3
• InChIKey: HEYCWVJZVRGOEJ-UHFFFAOYSA-N
• XLogP: 36.57
• TPSA: 346.37 Ų
• H-Bond Acceptors: 27
• Rotatable Bonds: 17
• Heavy Atoms: 188
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2507.09
LogP ≤ 5	36.57
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	27

Frequently Asked Questions

What is the IUPAC name of bis(5-(3-fluoro-5-methylphenyl)-2-pyridin-2-yl-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]oxazole);2-(5-fluoro-2-pyridinyl)-5-(3-methylphenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]oxazole;5-(6-methoxy-2-pyridinyl)-2-pyridin-2-yl-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]oxazole;tris(5-(3-methylphenyl)-2-pyridin-2-yl-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]oxazole);5-(5-methyl-3-pyridinyl)-2-pyridin-2-yl-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]oxazole?

The IUPAC name of bis(5-(3-fluoro-5-methylphenyl)-2-pyridin-2-yl-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]oxazole);2-(5-fluoro-2-pyridinyl)-5-(3-methylphenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]oxazole;5-(6-methoxy-2-pyridinyl)-2-pyridin-2-yl-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]oxazole;tris(5-(3-methylphenyl)-2-pyridin-2-yl-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]oxazole);5-(5-methyl-3-pyridinyl)-2-pyridin-2-yl-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]oxazole (CID 158459082) is bis(5-(3-fluoro-5-methylphenyl)-2-pyridin-2-yl-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]oxazole);2-(5-fluoro-2-pyridinyl)-5-(3-methylphenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]oxazole;5-(6-methoxy-2-pyridinyl)-2-pyridin-2-yl-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]oxazole;tris(5-(3-methylphenyl)-2-pyridin-2-yl-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]oxazole);5-(5-methyl-3-pyridinyl)-2-pyridin-2-yl-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]oxazole.

What is the SMILES notation for bis(5-(3-fluoro-5-methylphenyl)-2-pyridin-2-yl-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]oxazole);2-(5-fluoro-2-pyridinyl)-5-(3-methylphenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]oxazole;5-(6-methoxy-2-pyridinyl)-2-pyridin-2-yl-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]oxazole;tris(5-(3-methylphenyl)-2-pyridin-2-yl-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]oxazole);5-(5-methyl-3-pyridinyl)-2-pyridin-2-yl-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]oxazole?

The canonical SMILES for bis(5-(3-fluoro-5-methylphenyl)-2-pyridin-2-yl-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]oxazole);2-(5-fluoro-2-pyridinyl)-5-(3-methylphenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]oxazole;5-(6-methoxy-2-pyridinyl)-2-pyridin-2-yl-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]oxazole;tris(5-(3-methylphenyl)-2-pyridin-2-yl-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]oxazole);5-(5-methyl-3-pyridinyl)-2-pyridin-2-yl-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]oxazole is COc1cccc(C2CCCc3oc(-c4ccccn4)nc3C2)n1.Cc1cc(F)cc(C2CCCc3oc(-c4ccccn4)nc3C2)c1.Cc1cc(F)cc(C2CCCc3oc(-c4ccccn4)nc3C2)c1.Cc1cccc(C2CCCc3oc(-c4ccc(F)cn4)nc3C2)c1.Cc1cccc(C2CCCc3oc(-c4ccccn4)nc3C2)c1.Cc1cccc(C2CCCc3oc(-c4ccccn4)nc3C2)c1.Cc1cccc(C2CCCc3oc(-c4ccccn4)nc3C2)c1.Cc1cncc(C2CCCc3oc(-c4ccccn4)nc3C2)c1.

What is the InChIKey of bis(5-(3-fluoro-5-methylphenyl)-2-pyridin-2-yl-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]oxazole);2-(5-fluoro-2-pyridinyl)-5-(3-methylphenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]oxazole;5-(6-methoxy-2-pyridinyl)-2-pyridin-2-yl-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]oxazole;tris(5-(3-methylphenyl)-2-pyridin-2-yl-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]oxazole);5-(5-methyl-3-pyridinyl)-2-pyridin-2-yl-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]oxazole?

The InChIKey is HEYCWVJZVRGOEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/3C20H19FN2O.3C20H20N2O.C19H19N3O2.C19H19N3O/c1-13-4-2-5-14(10-13)15-6-3-7-19-18(11-15)23-20(24-19)17-9-8-16(21)12-22-17;2*1-13-9-15(11-16(21)10-13)14-5-4-7-19-18(12-14)23-20(24-19)17-6-2-3-8-22-17;3*1-14-6-4-7-15(12-14)16-8-5-10-19-18(13-16)22-20(23-19)17-9-2-3-11-21-17;1-23-18-10-5-8-14(21-18)13-6-4-9-17-16(12-13)22-19(24-17)15-7-2-3-11-20-15;1-13-9-15(12-20-11-13)14-5-4-7-18-17(10-14)22-19(23-18)16-6-2-3-8-21-16/h2,4-5,8-10,12,15H,3,6-7,11H2,1H3;2*2-3,6,8-11,14H,4-5,7,12H2,1H3;3*2-4,6-7,9,11-12,16H,5,8,10,13H2,1H3;2-3,5,7-8,10-11,13H,4,6,9,12H2,1H3;2-3,6,8-9,11-12,14H,4-5,7,10H2,1H3.

What are the key properties of bis(5-(3-fluoro-5-methylphenyl)-2-pyridin-2-yl-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]oxazole);2-(5-fluoro-2-pyridinyl)-5-(3-methylphenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]oxazole;5-(6-methoxy-2-pyridinyl)-2-pyridin-2-yl-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]oxazole;tris(5-(3-methylphenyl)-2-pyridin-2-yl-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]oxazole);5-(5-methyl-3-pyridinyl)-2-pyridin-2-yl-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]oxazole?

bis(5-(3-fluoro-5-methylphenyl)-2-pyridin-2-yl-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]oxazole);2-(5-fluoro-2-pyridinyl)-5-(3-methylphenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]oxazole;5-(6-methoxy-2-pyridinyl)-2-pyridin-2-yl-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]oxazole;tris(5-(3-methylphenyl)-2-pyridin-2-yl-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]oxazole);5-(5-methyl-3-pyridinyl)-2-pyridin-2-yl-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]oxazole has a molecular weight of 2507.09 g/mol, XLogP of 36.57, 17 rotatable bonds, 0 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for bis(5-(3-fluoro-5-methylphenyl)-2-pyridin-2-yl-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]oxazole);2-(5-fluoro-2-pyridinyl)-5-(3-methylphenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]oxazole;5-(6-methoxy-2-pyridinyl)-2-pyridin-2-yl-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]oxazole;tris(5-(3-methylphenyl)-2-pyridin-2-yl-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]oxazole);5-(5-methyl-3-pyridinyl)-2-pyridin-2-yl-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]oxazole is sourced from PubChem (CID 158459082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).