5-[4-fluoro-4-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)piperidin-1-yl]sulfonyl-2-methyl-1,3-oxazole

C16H18FN5O3S — CID 168797662

About 5-[4-fluoro-4-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)piperidin-1-yl]sulfonyl-2-methyl-1,3-oxazole

5-[4-fluoro-4-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)piperidin-1-yl]sulfonyl-2-methyl-1,3-oxazole (PubChem CID 168797662) has the molecular formula C16H18FN5O3S and a molecular weight of 379.42 g/mol. Its IUPAC name is 5-[4-fluoro-4-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)piperidin-1-yl]sulfonyl-2-methyl-1,3-oxazole.

Molecular Properties

• Compound Name: 5-[4-fluoro-4-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)piperidin-1-yl]sulfonyl-2-methyl-1,3-oxazole
• PubChem CID: 168797662
• Molecular Formula: C16H18FN5O3S
• Molecular Weight: 379.42 g/mol
• Exact Mass: 379.11
• IUPAC Name: 5-[4-fluoro-4-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)piperidin-1-yl]sulfonyl-2-methyl-1,3-oxazole
• SMILES: Cc1ncc(S(=O)(=O)N2CCC(F)(c3cn4ncnc4cc3C)CC2)o1
• InChI: InChI=1S/C16H18FN5O3S/c1-11-7-14-19-10-20-22(14)9-13(11)16(17)3-5-21(6-4-16)26(23,24)15-8-18-12(2)25-15/h7-10H,3-6H2,1-2H3
• InChIKey: MUAIJBYJBXBKCV-UHFFFAOYSA-N
• XLogP: 1.98
• TPSA: 93.60 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	379.42
LogP ≤ 5	1.98
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-[4-fluoro-4-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)piperidin-1-yl]sulfonyl-2-methyl-1,3-oxazole?

The IUPAC name of 5-[4-fluoro-4-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)piperidin-1-yl]sulfonyl-2-methyl-1,3-oxazole (CID 168797662) is 5-[4-fluoro-4-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)piperidin-1-yl]sulfonyl-2-methyl-1,3-oxazole.

What is the SMILES notation for 5-[4-fluoro-4-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)piperidin-1-yl]sulfonyl-2-methyl-1,3-oxazole?

The canonical SMILES for 5-[4-fluoro-4-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)piperidin-1-yl]sulfonyl-2-methyl-1,3-oxazole is Cc1ncc(S(=O)(=O)N2CCC(F)(c3cn4ncnc4cc3C)CC2)o1.

What is the InChIKey of 5-[4-fluoro-4-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)piperidin-1-yl]sulfonyl-2-methyl-1,3-oxazole?

The InChIKey is MUAIJBYJBXBKCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN5O3S/c1-11-7-14-19-10-20-22(14)9-13(11)16(17)3-5-21(6-4-16)26(23,24)15-8-18-12(2)25-15/h7-10H,3-6H2,1-2H3.

What are the key properties of 5-[4-fluoro-4-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)piperidin-1-yl]sulfonyl-2-methyl-1,3-oxazole?

5-[4-fluoro-4-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)piperidin-1-yl]sulfonyl-2-methyl-1,3-oxazole has a molecular weight of 379.42 g/mol, XLogP of 1.98, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-fluoro-4-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)piperidin-1-yl]sulfonyl-2-methyl-1,3-oxazole is sourced from PubChem (CID 168797662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).