5-(3-cyclohexyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-4-(2,5-difluorophenyl)-1,3-oxazole

C21H18F2N4O — CID 22236866

About 5-(3-cyclohexyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-4-(2,5-difluorophenyl)-1,3-oxazole

5-(3-cyclohexyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-4-(2,5-difluorophenyl)-1,3-oxazole (PubChem CID 22236866) has the molecular formula C21H18F2N4O and a molecular weight of 380.40 g/mol. Its IUPAC name is 5-(3-cyclohexyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-4-(2,5-difluorophenyl)-1,3-oxazole.

Molecular Properties

• Compound Name: 5-(3-cyclohexyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-4-(2,5-difluorophenyl)-1,3-oxazole
• PubChem CID: 22236866
• Molecular Formula: C21H18F2N4O
• Molecular Weight: 380.40 g/mol
• Exact Mass: 380.14
• IUPAC Name: 5-(3-cyclohexyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-4-(2,5-difluorophenyl)-1,3-oxazole
• SMILES: Fc1ccc(F)c(-c2ncoc2-c2ccc3nnc(C4CCCCC4)n3c2)c1
• InChI: InChI=1S/C21H18F2N4O/c22-15-7-8-17(23)16(10-15)19-20(28-12-24-19)14-6-9-18-25-26-21(27(18)11-14)13-4-2-1-3-5-13/h6-13H,1-5H2
• InChIKey: RDJSUBGPSWOSEB-UHFFFAOYSA-N
• XLogP: 5.38
• TPSA: 56.22 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	380.40
LogP ≤ 5	5.38
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-(3-cyclohexyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-4-(2,5-difluorophenyl)-1,3-oxazole?

The IUPAC name of 5-(3-cyclohexyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-4-(2,5-difluorophenyl)-1,3-oxazole (CID 22236866) is 5-(3-cyclohexyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-4-(2,5-difluorophenyl)-1,3-oxazole.

What is the SMILES notation for 5-(3-cyclohexyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-4-(2,5-difluorophenyl)-1,3-oxazole?

The canonical SMILES for 5-(3-cyclohexyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-4-(2,5-difluorophenyl)-1,3-oxazole is Fc1ccc(F)c(-c2ncoc2-c2ccc3nnc(C4CCCCC4)n3c2)c1.

What is the InChIKey of 5-(3-cyclohexyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-4-(2,5-difluorophenyl)-1,3-oxazole?

The InChIKey is RDJSUBGPSWOSEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F2N4O/c22-15-7-8-17(23)16(10-15)19-20(28-12-24-19)14-6-9-18-25-26-21(27(18)11-14)13-4-2-1-3-5-13/h6-13H,1-5H2.

What are the key properties of 5-(3-cyclohexyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-4-(2,5-difluorophenyl)-1,3-oxazole?

5-(3-cyclohexyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-4-(2,5-difluorophenyl)-1,3-oxazole has a molecular weight of 380.40 g/mol, XLogP of 5.38, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(3-cyclohexyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-4-(2,5-difluorophenyl)-1,3-oxazole is sourced from PubChem (CID 22236866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).