5-(2-chloro-4-methylphenyl)-7,7-dimethyl-2-pyridin-2-yl-4,6-dihydro-[1,3]oxazolo[4,5-c]pyridine;2-[2-(3-chlorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-1-(4-methylphenyl)ethanone;2-[2-(3-fluorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-1-(4-methylphenyl)ethanone;1-(4-methylphenyl)-2-(2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)ethanone;3-methyl-5-[2-(2-pyridin-2-ylpropan-2-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]benzonitrile

C104H99Cl2FN14O8 — CID 159339951

About 5-(2-chloro-4-methylphenyl)-7,7-dimethyl-2-pyridin-2-yl-4,6-dihydro-[1,3]oxazolo[4,5-c]pyridine;2-[2-(3-chlorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-1-(4-methylphenyl)ethanone;2-[2-(3-fluorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-1-(4-methylphenyl)ethanone;1-(4-methylphenyl)-2-(2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)ethanone;3-methyl-5-[2-(2-pyridin-2-ylpropan-2-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]benzonitrile

5-(2-chloro-4-methylphenyl)-7,7-dimethyl-2-pyridin-2-yl-4,6-dihydro-[1,3]oxazolo[4,5-c]pyridine;2-[2-(3-chlorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-1-(4-methylphenyl)ethanone;2-[2-(3-fluorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-1-(4-methylphenyl)ethanone;1-(4-methylphenyl)-2-(2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)ethanone;3-methyl-5-[2-(2-pyridin-2-ylpropan-2-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]benzonitrile (PubChem CID 159339951) has the molecular formula C104H99Cl2FN14O8 and a molecular weight of 1762.93 g/mol. Its IUPAC name is 5-(2-chloro-4-methylphenyl)-7,7-dimethyl-2-pyridin-2-yl-4,6-dihydro-[1,3]oxazolo[4,5-c]pyridine;2-[2-(3-chlorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-1-(4-methylphenyl)ethanone;2-[2-(3-fluorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-1-(4-methylphenyl)ethanone;1-(4-methylphenyl)-2-(2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)ethanone;3-methyl-5-[2-(2-pyridin-2-ylpropan-2-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]benzonitrile.

Molecular Properties

• Compound Name: 5-(2-chloro-4-methylphenyl)-7,7-dimethyl-2-pyridin-2-yl-4,6-dihydro-[1,3]oxazolo[4,5-c]pyridine;2-[2-(3-chlorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-1-(4-methylphenyl)ethanone;2-[2-(3-fluorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-1-(4-methylphenyl)ethanone;1-(4-methylphenyl)-2-(2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)ethanone;3-methyl-5-[2-(2-pyridin-2-ylpropan-2-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]benzonitrile
• PubChem CID: 159339951
• Molecular Formula: C104H99Cl2FN14O8
• Molecular Weight: 1762.93 g/mol
• Exact Mass: 1760.71
• IUPAC Name: 5-(2-chloro-4-methylphenyl)-7,7-dimethyl-2-pyridin-2-yl-4,6-dihydro-[1,3]oxazolo[4,5-c]pyridine;2-[2-(3-chlorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-1-(4-methylphenyl)ethanone;2-[2-(3-fluorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-1-(4-methylphenyl)ethanone;1-(4-methylphenyl)-2-(2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)ethanone;3-methyl-5-[2-(2-pyridin-2-ylpropan-2-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]benzonitrile
• SMILES: Cc1cc(C#N)cc(N2CCc3oc(C(C)(C)c4ccccn4)nc3C2)c1.Cc1ccc(C(=O)CN2CCc3oc(-c4cccc(Cl)c4)nc3C2)cc1.Cc1ccc(C(=O)CN2CCc3oc(-c4cccc(F)c4)nc3C2)cc1.Cc1ccc(C(=O)CN2CCc3oc(-c4ccccn4)nc3C2)cc1.Cc1ccc(N2Cc3nc(-c4ccccn4)oc3C(C)(C)C2)c(Cl)c1
• InChI: InChI=1S/C22H22N4O.C21H19ClN2O2.C21H19FN2O2.C20H20ClN3O.C20H19N3O2/c1-15-10-16(13-23)12-17(11-15)26-9-7-19-18(14-26)25-21(27-19)22(2,3)20-6-4-5-8-24-20;2*1-14-5-7-15(8-6-14)19(25)13-24-10-9-20-18(12-24)23-21(26-20)16-3-2-4-17(22)11-16;1-13-7-8-17(14(21)10-13)24-11-16-18(20(2,3)12-24)25-19(23-16)15-6-4-5-9-22-15;1-14-5-7-15(8-6-14)18(24)13-23-11-9-19-17(12-23)22-20(25-19)16-4-2-3-10-21-16/h4-6,8,10-12H,7,9,14H2,1-3H3;2*2-8,11H,9-10,12-13H2,1H3;4-10H,11-12H2,1-3H3;2-8,10H,9,11-13H2,1H3
• InChIKey: LGAAQYJBUIUZJG-UHFFFAOYSA-N
• XLogP: 21.00
• TPSA: 260.02 Ų
• H-Bond Acceptors: 22
• Rotatable Bonds: 17
• Heavy Atoms: 129
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1762.93
LogP ≤ 5	21.00
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-4-methylphenyl)-7,7-dimethyl-2-pyridin-2-yl-4,6-dihydro-[1,3]oxazolo[4,5-c]pyridine;2-[2-(3-chlorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-1-(4-methylphenyl)ethanone;2-[2-(3-fluorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-1-(4-methylphenyl)ethanone;1-(4-methylphenyl)-2-(2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)ethanone;3-methyl-5-[2-(2-pyridin-2-ylpropan-2-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]benzonitrile?

The IUPAC name of 5-(2-chloro-4-methylphenyl)-7,7-dimethyl-2-pyridin-2-yl-4,6-dihydro-[1,3]oxazolo[4,5-c]pyridine;2-[2-(3-chlorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-1-(4-methylphenyl)ethanone;2-[2-(3-fluorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-1-(4-methylphenyl)ethanone;1-(4-methylphenyl)-2-(2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)ethanone;3-methyl-5-[2-(2-pyridin-2-ylpropan-2-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]benzonitrile (CID 159339951) is 5-(2-chloro-4-methylphenyl)-7,7-dimethyl-2-pyridin-2-yl-4,6-dihydro-[1,3]oxazolo[4,5-c]pyridine;2-[2-(3-chlorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-1-(4-methylphenyl)ethanone;2-[2-(3-fluorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-1-(4-methylphenyl)ethanone;1-(4-methylphenyl)-2-(2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)ethanone;3-methyl-5-[2-(2-pyridin-2-ylpropan-2-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]benzonitrile.

What is the SMILES notation for 5-(2-chloro-4-methylphenyl)-7,7-dimethyl-2-pyridin-2-yl-4,6-dihydro-[1,3]oxazolo[4,5-c]pyridine;2-[2-(3-chlorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-1-(4-methylphenyl)ethanone;2-[2-(3-fluorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-1-(4-methylphenyl)ethanone;1-(4-methylphenyl)-2-(2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)ethanone;3-methyl-5-[2-(2-pyridin-2-ylpropan-2-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]benzonitrile?

The canonical SMILES for 5-(2-chloro-4-methylphenyl)-7,7-dimethyl-2-pyridin-2-yl-4,6-dihydro-[1,3]oxazolo[4,5-c]pyridine;2-[2-(3-chlorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-1-(4-methylphenyl)ethanone;2-[2-(3-fluorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-1-(4-methylphenyl)ethanone;1-(4-methylphenyl)-2-(2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)ethanone;3-methyl-5-[2-(2-pyridin-2-ylpropan-2-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]benzonitrile is Cc1cc(C#N)cc(N2CCc3oc(C(C)(C)c4ccccn4)nc3C2)c1.Cc1ccc(C(=O)CN2CCc3oc(-c4cccc(Cl)c4)nc3C2)cc1.Cc1ccc(C(=O)CN2CCc3oc(-c4cccc(F)c4)nc3C2)cc1.Cc1ccc(C(=O)CN2CCc3oc(-c4ccccn4)nc3C2)cc1.Cc1ccc(N2Cc3nc(-c4ccccn4)oc3C(C)(C)C2)c(Cl)c1.

What is the InChIKey of 5-(2-chloro-4-methylphenyl)-7,7-dimethyl-2-pyridin-2-yl-4,6-dihydro-[1,3]oxazolo[4,5-c]pyridine;2-[2-(3-chlorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-1-(4-methylphenyl)ethanone;2-[2-(3-fluorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-1-(4-methylphenyl)ethanone;1-(4-methylphenyl)-2-(2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)ethanone;3-methyl-5-[2-(2-pyridin-2-ylpropan-2-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]benzonitrile?

The InChIKey is LGAAQYJBUIUZJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O.C21H19ClN2O2.C21H19FN2O2.C20H20ClN3O.C20H19N3O2/c1-15-10-16(13-23)12-17(11-15)26-9-7-19-18(14-26)25-21(27-19)22(2,3)20-6-4-5-8-24-20;2*1-14-5-7-15(8-6-14)19(25)13-24-10-9-20-18(12-24)23-21(26-20)16-3-2-4-17(22)11-16;1-13-7-8-17(14(21)10-13)24-11-16-18(20(2,3)12-24)25-19(23-16)15-6-4-5-9-22-15;1-14-5-7-15(8-6-14)18(24)13-23-11-9-19-17(12-23)22-20(25-19)16-4-2-3-10-21-16/h4-6,8,10-12H,7,9,14H2,1-3H3;2*2-8,11H,9-10,12-13H2,1H3;4-10H,11-12H2,1-3H3;2-8,10H,9,11-13H2,1H3.

What are the key properties of 5-(2-chloro-4-methylphenyl)-7,7-dimethyl-2-pyridin-2-yl-4,6-dihydro-[1,3]oxazolo[4,5-c]pyridine;2-[2-(3-chlorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-1-(4-methylphenyl)ethanone;2-[2-(3-fluorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-1-(4-methylphenyl)ethanone;1-(4-methylphenyl)-2-(2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)ethanone;3-methyl-5-[2-(2-pyridin-2-ylpropan-2-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]benzonitrile?

5-(2-chloro-4-methylphenyl)-7,7-dimethyl-2-pyridin-2-yl-4,6-dihydro-[1,3]oxazolo[4,5-c]pyridine;2-[2-(3-chlorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-1-(4-methylphenyl)ethanone;2-[2-(3-fluorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-1-(4-methylphenyl)ethanone;1-(4-methylphenyl)-2-(2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)ethanone;3-methyl-5-[2-(2-pyridin-2-ylpropan-2-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]benzonitrile has a molecular weight of 1762.93 g/mol, XLogP of 21.00, 17 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(2-chloro-4-methylphenyl)-7,7-dimethyl-2-pyridin-2-yl-4,6-dihydro-[1,3]oxazolo[4,5-c]pyridine;2-[2-(3-chlorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-1-(4-methylphenyl)ethanone;2-[2-(3-fluorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-1-(4-methylphenyl)ethanone;1-(4-methylphenyl)-2-(2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)ethanone;3-methyl-5-[2-(2-pyridin-2-ylpropan-2-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]benzonitrile is sourced from PubChem (CID 159339951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).