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

C26H20FN5O3S — CID 25207513

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

2-amino-6-[[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]-4-[4-(2-hydroxyethoxy)phenyl]pyridine-3,5-dicarbonitrile (PubChem CID 25207513) has the molecular formula C26H20FN5O3S and a molecular weight of 501.54 g/mol. Its IUPAC name is 2-amino-6-[[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]-4-[4-(2-hydroxyethoxy)phenyl]pyridine-3,5-dicarbonitrile.

Molecular Properties

• Compound Name: 2-amino-6-[[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]-4-[4-(2-hydroxyethoxy)phenyl]pyridine-3,5-dicarbonitrile
• PubChem CID: 25207513
• Molecular Formula: C26H20FN5O3S
• Molecular Weight: 501.54 g/mol
• Exact Mass: 501.13
• IUPAC Name: 2-amino-6-[[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]-4-[4-(2-hydroxyethoxy)phenyl]pyridine-3,5-dicarbonitrile
• SMILES: Cc1oc(-c2ccc(F)cc2)nc1CSc1nc(N)c(C#N)c(-c2ccc(OCCO)cc2)c1C#N
• InChI: InChI=1S/C26H20FN5O3S/c1-15-22(31-25(35-15)17-2-6-18(27)7-3-17)14-36-26-21(13-29)23(20(12-28)24(30)32-26)16-4-8-19(9-5-16)34-11-10-33/h2-9,33H,10-11,14H2,1H3,(H2,30,32)
• InChIKey: NVEINLNPIXXBGU-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-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]-4-[4-(2-hydroxyethoxy)phenyl]pyridine-3,5-dicarbonitrile?

The IUPAC name of 2-amino-6-[[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]-4-[4-(2-hydroxyethoxy)phenyl]pyridine-3,5-dicarbonitrile (CID 25207513) is 2-amino-6-[[2-(4-fluorophenyl)-5-methyl-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-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]-4-[4-(2-hydroxyethoxy)phenyl]pyridine-3,5-dicarbonitrile?

The canonical SMILES for 2-amino-6-[[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]-4-[4-(2-hydroxyethoxy)phenyl]pyridine-3,5-dicarbonitrile is Cc1oc(-c2ccc(F)cc2)nc1CSc1nc(N)c(C#N)c(-c2ccc(OCCO)cc2)c1C#N.

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

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

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

2-amino-6-[[2-(4-fluorophenyl)-5-methyl-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-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]-4-[4-(2-hydroxyethoxy)phenyl]pyridine-3,5-dicarbonitrile is sourced from PubChem (CID 25207513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).