2-amino-6-[[2-(4-fluoro-3-methylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]-4-[4-(2-hydroxyethoxy)phenyl]pyridine-3,5-dicarbonitrile

C26H20FN5O3S — CID 25205426

About 2-amino-6-[[2-(4-fluoro-3-methylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]-4-[4-(2-hydroxyethoxy)phenyl]pyridine-3,5-dicarbonitrile

2-amino-6-[[2-(4-fluoro-3-methylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]-4-[4-(2-hydroxyethoxy)phenyl]pyridine-3,5-dicarbonitrile (PubChem CID 25205426) has the molecular formula C26H20FN5O3S and a molecular weight of 501.54 g/mol. Its IUPAC name is 2-amino-6-[[2-(4-fluoro-3-methylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]-4-[4-(2-hydroxyethoxy)phenyl]pyridine-3,5-dicarbonitrile.

Molecular Properties

• Compound Name: 2-amino-6-[[2-(4-fluoro-3-methylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]-4-[4-(2-hydroxyethoxy)phenyl]pyridine-3,5-dicarbonitrile
• PubChem CID: 25205426
• Molecular Formula: C26H20FN5O3S
• Molecular Weight: 501.54 g/mol
• Exact Mass: 501.13
• IUPAC Name: 2-amino-6-[[2-(4-fluoro-3-methylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]-4-[4-(2-hydroxyethoxy)phenyl]pyridine-3,5-dicarbonitrile
• SMILES: Cc1cc(-c2nc(CSc3nc(N)c(C#N)c(-c4ccc(OCCO)cc4)c3C#N)co2)ccc1F
• InChI: InChI=1S/C26H20FN5O3S/c1-15-10-17(4-7-22(15)27)25-31-18(13-35-25)14-36-26-21(12-29)23(20(11-28)24(30)32-26)16-2-5-19(6-3-16)34-9-8-33/h2-7,10,13,33H,8-9,14H2,1H3,(H2,30,32)
• InChIKey: LSKGLSWLKPQLRD-UHFFFAOYSA-N
• XLogP: 4.84
• TPSA: 141.98 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	501.54
LogP ≤ 5	4.84
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-[[2-(4-fluoro-3-methylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]-4-[4-(2-hydroxyethoxy)phenyl]pyridine-3,5-dicarbonitrile?

The IUPAC name of 2-amino-6-[[2-(4-fluoro-3-methylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]-4-[4-(2-hydroxyethoxy)phenyl]pyridine-3,5-dicarbonitrile (CID 25205426) is 2-amino-6-[[2-(4-fluoro-3-methylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]-4-[4-(2-hydroxyethoxy)phenyl]pyridine-3,5-dicarbonitrile.

What is the SMILES notation for 2-amino-6-[[2-(4-fluoro-3-methylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]-4-[4-(2-hydroxyethoxy)phenyl]pyridine-3,5-dicarbonitrile?

The canonical SMILES for 2-amino-6-[[2-(4-fluoro-3-methylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]-4-[4-(2-hydroxyethoxy)phenyl]pyridine-3,5-dicarbonitrile is Cc1cc(-c2nc(CSc3nc(N)c(C#N)c(-c4ccc(OCCO)cc4)c3C#N)co2)ccc1F.

What is the InChIKey of 2-amino-6-[[2-(4-fluoro-3-methylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]-4-[4-(2-hydroxyethoxy)phenyl]pyridine-3,5-dicarbonitrile?

The InChIKey is LSKGLSWLKPQLRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20FN5O3S/c1-15-10-17(4-7-22(15)27)25-31-18(13-35-25)14-36-26-21(12-29)23(20(11-28)24(30)32-26)16-2-5-19(6-3-16)34-9-8-33/h2-7,10,13,33H,8-9,14H2,1H3,(H2,30,32).

What are the key properties of 2-amino-6-[[2-(4-fluoro-3-methylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]-4-[4-(2-hydroxyethoxy)phenyl]pyridine-3,5-dicarbonitrile?

2-amino-6-[[2-(4-fluoro-3-methylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]-4-[4-(2-hydroxyethoxy)phenyl]pyridine-3,5-dicarbonitrile has a molecular weight of 501.54 g/mol, XLogP of 4.84, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-6-[[2-(4-fluoro-3-methylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]-4-[4-(2-hydroxyethoxy)phenyl]pyridine-3,5-dicarbonitrile is sourced from PubChem (CID 25205426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).