4-chloro-6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-ethyl-2-methylanilino]pyridine-3-carbonitrile;2-chloro-4-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-4-pyridinyl]-ethylamino]benzonitrile;2-chloro-4-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-3-pyridinyl]-ethylamino]benzonitrile;4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-ethyl-2-methylanilino]-2-methylbenzonitrile;4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-ethyl-2-methylanilino]-2-(trifluoromethyl)benzonitrile

C104H100Cl3F3N18O5 — CID 165075969

About 4-chloro-6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-ethyl-2-methylanilino]pyridine-3-carbonitrile;2-chloro-4-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-4-pyridinyl]-ethylamino]benzonitrile;2-chloro-4-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-3-pyridinyl]-ethylamino]benzonitrile;4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-ethyl-2-methylanilino]-2-methylbenzonitrile;4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-ethyl-2-methylanilino]-2-(trifluoromethyl)benzonitrile

4-chloro-6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-ethyl-2-methylanilino]pyridine-3-carbonitrile;2-chloro-4-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-4-pyridinyl]-ethylamino]benzonitrile;2-chloro-4-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-3-pyridinyl]-ethylamino]benzonitrile;4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-ethyl-2-methylanilino]-2-methylbenzonitrile;4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-ethyl-2-methylanilino]-2-(trifluoromethyl)benzonitrile (PubChem CID 165075969) has the molecular formula C104H100Cl3F3N18O5 and a molecular weight of 1845.42 g/mol. Its IUPAC name is 4-chloro-6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-ethyl-2-methylanilino]pyridine-3-carbonitrile;2-chloro-4-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-4-pyridinyl]-ethylamino]benzonitrile;2-chloro-4-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-3-pyridinyl]-ethylamino]benzonitrile;4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-ethyl-2-methylanilino]-2-methylbenzonitrile;4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-ethyl-2-methylanilino]-2-(trifluoromethyl)benzonitrile.

Molecular Properties

• Compound Name: 4-chloro-6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-ethyl-2-methylanilino]pyridine-3-carbonitrile;2-chloro-4-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-4-pyridinyl]-ethylamino]benzonitrile;2-chloro-4-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-3-pyridinyl]-ethylamino]benzonitrile;4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-ethyl-2-methylanilino]-2-methylbenzonitrile;4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-ethyl-2-methylanilino]-2-(trifluoromethyl)benzonitrile
• PubChem CID: 165075969
• Molecular Formula: C104H100Cl3F3N18O5
• Molecular Weight: 1845.42 g/mol
• Exact Mass: 1842.71
• IUPAC Name: 4-chloro-6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-ethyl-2-methylanilino]pyridine-3-carbonitrile;2-chloro-4-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-4-pyridinyl]-ethylamino]benzonitrile;2-chloro-4-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-3-pyridinyl]-ethylamino]benzonitrile;4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-ethyl-2-methylanilino]-2-methylbenzonitrile;4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-ethyl-2-methylanilino]-2-(trifluoromethyl)benzonitrile
• SMILES: CCN(c1cc(Cl)c(C#N)cn1)c1cc(-c2c(C)noc2C)ccc1C.CCN(c1ccc(C#N)c(C(F)(F)F)c1)c1cc(-c2c(C)noc2C)ccc1C.CCN(c1ccc(C#N)c(C)c1)c1cc(-c2c(C)noc2C)ccc1C.CCN(c1ccc(C#N)c(Cl)c1)c1cc(-c2c(C)noc2C)cnc1C.CCN(c1ccc(C#N)c(Cl)c1)c1cc(-c2c(C)noc2C)ncc1C
• InChI: InChI=1S/C22H20F3N3O.C22H23N3O.3C20H19ClN4O/c1-5-28(18-9-8-17(12-26)19(11-18)22(23,24)25)20-10-16(7-6-13(20)2)21-14(3)27-29-15(21)4;1-6-25(20-10-9-19(13-23)15(3)11-20)21-12-18(8-7-14(21)2)22-16(4)24-26-17(22)5;1-5-25(17-7-6-15(10-22)18(21)9-17)19-8-16(11-23-12(19)2)20-13(3)24-26-14(20)4;1-5-25(16-7-6-15(10-22)17(21)8-16)19-9-18(23-11-12(19)2)20-13(3)24-26-14(20)4;1-5-25(19-9-17(21)16(10-22)11-23-19)18-8-15(7-6-12(18)2)20-13(3)24-26-14(20)4/h6-11H,5H2,1-4H3;7-12H,6H2,1-5H3;3*6-9,11H,5H2,1-4H3
• InChIKey: UHQIGOGJBSAOLK-UHFFFAOYSA-N
• XLogP: 27.96
• TPSA: 303.97 Ų
• H-Bond Acceptors: 23
• Rotatable Bonds: 20
• Heavy Atoms: 133
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1845.42
LogP ≤ 5	27.96
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-ethyl-2-methylanilino]pyridine-3-carbonitrile;2-chloro-4-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-4-pyridinyl]-ethylamino]benzonitrile;2-chloro-4-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-3-pyridinyl]-ethylamino]benzonitrile;4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-ethyl-2-methylanilino]-2-methylbenzonitrile;4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-ethyl-2-methylanilino]-2-(trifluoromethyl)benzonitrile?

The IUPAC name of 4-chloro-6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-ethyl-2-methylanilino]pyridine-3-carbonitrile;2-chloro-4-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-4-pyridinyl]-ethylamino]benzonitrile;2-chloro-4-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-3-pyridinyl]-ethylamino]benzonitrile;4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-ethyl-2-methylanilino]-2-methylbenzonitrile;4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-ethyl-2-methylanilino]-2-(trifluoromethyl)benzonitrile (CID 165075969) is 4-chloro-6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-ethyl-2-methylanilino]pyridine-3-carbonitrile;2-chloro-4-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-4-pyridinyl]-ethylamino]benzonitrile;2-chloro-4-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-3-pyridinyl]-ethylamino]benzonitrile;4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-ethyl-2-methylanilino]-2-methylbenzonitrile;4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-ethyl-2-methylanilino]-2-(trifluoromethyl)benzonitrile.

What is the SMILES notation for 4-chloro-6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-ethyl-2-methylanilino]pyridine-3-carbonitrile;2-chloro-4-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-4-pyridinyl]-ethylamino]benzonitrile;2-chloro-4-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-3-pyridinyl]-ethylamino]benzonitrile;4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-ethyl-2-methylanilino]-2-methylbenzonitrile;4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-ethyl-2-methylanilino]-2-(trifluoromethyl)benzonitrile?

The canonical SMILES for 4-chloro-6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-ethyl-2-methylanilino]pyridine-3-carbonitrile;2-chloro-4-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-4-pyridinyl]-ethylamino]benzonitrile;2-chloro-4-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-3-pyridinyl]-ethylamino]benzonitrile;4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-ethyl-2-methylanilino]-2-methylbenzonitrile;4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-ethyl-2-methylanilino]-2-(trifluoromethyl)benzonitrile is CCN(c1cc(Cl)c(C#N)cn1)c1cc(-c2c(C)noc2C)ccc1C.CCN(c1ccc(C#N)c(C(F)(F)F)c1)c1cc(-c2c(C)noc2C)ccc1C.CCN(c1ccc(C#N)c(C)c1)c1cc(-c2c(C)noc2C)ccc1C.CCN(c1ccc(C#N)c(Cl)c1)c1cc(-c2c(C)noc2C)cnc1C.CCN(c1ccc(C#N)c(Cl)c1)c1cc(-c2c(C)noc2C)ncc1C.

What is the InChIKey of 4-chloro-6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-ethyl-2-methylanilino]pyridine-3-carbonitrile;2-chloro-4-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-4-pyridinyl]-ethylamino]benzonitrile;2-chloro-4-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-3-pyridinyl]-ethylamino]benzonitrile;4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-ethyl-2-methylanilino]-2-methylbenzonitrile;4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-ethyl-2-methylanilino]-2-(trifluoromethyl)benzonitrile?

The InChIKey is UHQIGOGJBSAOLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F3N3O.C22H23N3O.3C20H19ClN4O/c1-5-28(18-9-8-17(12-26)19(11-18)22(23,24)25)20-10-16(7-6-13(20)2)21-14(3)27-29-15(21)4;1-6-25(20-10-9-19(13-23)15(3)11-20)21-12-18(8-7-14(21)2)22-16(4)24-26-17(22)5;1-5-25(17-7-6-15(10-22)18(21)9-17)19-8-16(11-23-12(19)2)20-13(3)24-26-14(20)4;1-5-25(16-7-6-15(10-22)17(21)8-16)19-9-18(23-11-12(19)2)20-13(3)24-26-14(20)4;1-5-25(19-9-17(21)16(10-22)11-23-19)18-8-15(7-6-12(18)2)20-13(3)24-26-14(20)4/h6-11H,5H2,1-4H3;7-12H,6H2,1-5H3;3*6-9,11H,5H2,1-4H3.

What are the key properties of 4-chloro-6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-ethyl-2-methylanilino]pyridine-3-carbonitrile;2-chloro-4-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-4-pyridinyl]-ethylamino]benzonitrile;2-chloro-4-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-3-pyridinyl]-ethylamino]benzonitrile;4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-ethyl-2-methylanilino]-2-methylbenzonitrile;4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-ethyl-2-methylanilino]-2-(trifluoromethyl)benzonitrile?

4-chloro-6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-ethyl-2-methylanilino]pyridine-3-carbonitrile;2-chloro-4-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-4-pyridinyl]-ethylamino]benzonitrile;2-chloro-4-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-3-pyridinyl]-ethylamino]benzonitrile;4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-ethyl-2-methylanilino]-2-methylbenzonitrile;4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-ethyl-2-methylanilino]-2-(trifluoromethyl)benzonitrile has a molecular weight of 1845.42 g/mol, XLogP of 27.96, 20 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-ethyl-2-methylanilino]pyridine-3-carbonitrile;2-chloro-4-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-4-pyridinyl]-ethylamino]benzonitrile;2-chloro-4-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-3-pyridinyl]-ethylamino]benzonitrile;4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-ethyl-2-methylanilino]-2-methylbenzonitrile;4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-ethyl-2-methylanilino]-2-(trifluoromethyl)benzonitrile is sourced from PubChem (CID 165075969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).