N-(5-methyl-1,2-oxazol-3-yl)-2-[2-oxo-2-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]amino]ethyl]sulfanylpropanamide

C20H24F3N5O3S — CID 46465761

About N-(5-methyl-1,2-oxazol-3-yl)-2-[2-oxo-2-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]amino]ethyl]sulfanylpropanamide

N-(5-methyl-1,2-oxazol-3-yl)-2-[2-oxo-2-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]amino]ethyl]sulfanylpropanamide (PubChem CID 46465761) has the molecular formula C20H24F3N5O3S and a molecular weight of 471.51 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-2-[2-oxo-2-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]amino]ethyl]sulfanylpropanamide.

Molecular Properties

• Compound Name: N-(5-methyl-1,2-oxazol-3-yl)-2-[2-oxo-2-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]amino]ethyl]sulfanylpropanamide
• PubChem CID: 46465761
• Molecular Formula: C20H24F3N5O3S
• Molecular Weight: 471.51 g/mol
• Exact Mass: 471.16
• IUPAC Name: N-(5-methyl-1,2-oxazol-3-yl)-2-[2-oxo-2-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]amino]ethyl]sulfanylpropanamide
• SMILES: Cc1cc(NC(=O)C(C)SCC(=O)NC2CCN(c3ccc(C(F)(F)F)cn3)CC2)no1
• InChI: InChI=1S/C20H24F3N5O3S/c1-12-9-16(27-31-12)26-19(30)13(2)32-11-18(29)25-15-5-7-28(8-6-15)17-4-3-14(10-24-17)20(21,22)23/h3-4,9-10,13,15H,5-8,11H2,1-2H3,(H,25,29)(H,26,27,30)
• InChIKey: YLLGFADKDAAGER-UHFFFAOYSA-N
• XLogP: 3.24
• TPSA: 100.36 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	471.51
LogP ≤ 5	3.24
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-[2-oxo-2-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]amino]ethyl]sulfanylpropanamide?

The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-[2-oxo-2-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]amino]ethyl]sulfanylpropanamide (CID 46465761) is N-(5-methyl-1,2-oxazol-3-yl)-2-[2-oxo-2-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]amino]ethyl]sulfanylpropanamide.

What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-2-[2-oxo-2-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]amino]ethyl]sulfanylpropanamide?

The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-2-[2-oxo-2-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]amino]ethyl]sulfanylpropanamide is Cc1cc(NC(=O)C(C)SCC(=O)NC2CCN(c3ccc(C(F)(F)F)cn3)CC2)no1.

What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-2-[2-oxo-2-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]amino]ethyl]sulfanylpropanamide?

The InChIKey is YLLGFADKDAAGER-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F3N5O3S/c1-12-9-16(27-31-12)26-19(30)13(2)32-11-18(29)25-15-5-7-28(8-6-15)17-4-3-14(10-24-17)20(21,22)23/h3-4,9-10,13,15H,5-8,11H2,1-2H3,(H,25,29)(H,26,27,30).

What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-2-[2-oxo-2-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]amino]ethyl]sulfanylpropanamide?

N-(5-methyl-1,2-oxazol-3-yl)-2-[2-oxo-2-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]amino]ethyl]sulfanylpropanamide has a molecular weight of 471.51 g/mol, XLogP of 3.24, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-methyl-1,2-oxazol-3-yl)-2-[2-oxo-2-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]amino]ethyl]sulfanylpropanamide is sourced from PubChem (CID 46465761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).