cyclobutyl-[4-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carbonyl]piperazin-1-yl]methanone

C20H24N4O3S — CID 56512652

About cyclobutyl-[4-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carbonyl]piperazin-1-yl]methanone

cyclobutyl-[4-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carbonyl]piperazin-1-yl]methanone (PubChem CID 56512652) has the molecular formula C20H24N4O3S and a molecular weight of 400.50 g/mol. Its IUPAC name is cyclobutyl-[4-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carbonyl]piperazin-1-yl]methanone.

Molecular Properties

• Compound Name: cyclobutyl-[4-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carbonyl]piperazin-1-yl]methanone
• PubChem CID: 56512652
• Molecular Formula: C20H24N4O3S
• Molecular Weight: 400.50 g/mol
• Exact Mass: 400.16
• IUPAC Name: cyclobutyl-[4-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carbonyl]piperazin-1-yl]methanone
• SMILES: Cc1cc(CSc2ncccc2C(=O)N2CCN(C(=O)C3CCC3)CC2)no1
• InChI: InChI=1S/C20H24N4O3S/c1-14-12-16(22-27-14)13-28-18-17(6-3-7-21-18)20(26)24-10-8-23(9-11-24)19(25)15-4-2-5-15/h3,6-7,12,15H,2,4-5,8-11,13H2,1H3
• InChIKey: JHHAQWRUEXYMAB-UHFFFAOYSA-N
• XLogP: 2.75
• TPSA: 79.54 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	400.50
LogP ≤ 5	2.75
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of cyclobutyl-[4-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carbonyl]piperazin-1-yl]methanone?

The IUPAC name of cyclobutyl-[4-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carbonyl]piperazin-1-yl]methanone (CID 56512652) is cyclobutyl-[4-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carbonyl]piperazin-1-yl]methanone.

What is the SMILES notation for cyclobutyl-[4-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carbonyl]piperazin-1-yl]methanone?

The canonical SMILES for cyclobutyl-[4-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carbonyl]piperazin-1-yl]methanone is Cc1cc(CSc2ncccc2C(=O)N2CCN(C(=O)C3CCC3)CC2)no1.

What is the InChIKey of cyclobutyl-[4-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carbonyl]piperazin-1-yl]methanone?

The InChIKey is JHHAQWRUEXYMAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3S/c1-14-12-16(22-27-14)13-28-18-17(6-3-7-21-18)20(26)24-10-8-23(9-11-24)19(25)15-4-2-5-15/h3,6-7,12,15H,2,4-5,8-11,13H2,1H3.

What are the key properties of cyclobutyl-[4-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carbonyl]piperazin-1-yl]methanone?

cyclobutyl-[4-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carbonyl]piperazin-1-yl]methanone has a molecular weight of 400.50 g/mol, XLogP of 2.75, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for cyclobutyl-[4-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carbonyl]piperazin-1-yl]methanone is sourced from PubChem (CID 56512652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).