N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-2-[4-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]triazol-1-yl]propanamide

C25H21F3N8O3 — CID 118324412

About N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-2-[4-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]triazol-1-yl]propanamide

N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-2-[4-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]triazol-1-yl]propanamide (PubChem CID 118324412) has the molecular formula C25H21F3N8O3 and a molecular weight of 538.49 g/mol. Its IUPAC name is N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-2-[4-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]triazol-1-yl]propanamide.

Molecular Properties

• Compound Name: N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-2-[4-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]triazol-1-yl]propanamide
• PubChem CID: 118324412
• Molecular Formula: C25H21F3N8O3
• Molecular Weight: 538.49 g/mol
• Exact Mass: 538.17
• IUPAC Name: N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-2-[4-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]triazol-1-yl]propanamide
• SMILES: Cc1cc(Nc2cc(C(F)(F)F)ccn2)nc(-c2cn(C(C)C(=O)NCc3cc(-c4ccco4)on3)nn2)c1
• InChI: InChI=1S/C25H21F3N8O3/c1-14-8-18(31-23(9-14)32-22-10-16(5-6-29-22)25(26,27)28)19-13-36(35-33-19)15(2)24(37)30-12-17-11-21(39-34-17)20-4-3-7-38-20/h3-11,13,15H,12H2,1-2H3,(H,30,37)(H,29,31,32)
• InChIKey: YLDCLQQXDBFKIG-UHFFFAOYSA-N
• XLogP: 4.93
• TPSA: 136.79 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	538.49
LogP ≤ 5	4.93
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-2-[4-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]triazol-1-yl]propanamide?

The IUPAC name of N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-2-[4-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]triazol-1-yl]propanamide (CID 118324412) is N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-2-[4-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]triazol-1-yl]propanamide.

What is the SMILES notation for N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-2-[4-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]triazol-1-yl]propanamide?

The canonical SMILES for N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-2-[4-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]triazol-1-yl]propanamide is Cc1cc(Nc2cc(C(F)(F)F)ccn2)nc(-c2cn(C(C)C(=O)NCc3cc(-c4ccco4)on3)nn2)c1.

What is the InChIKey of N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-2-[4-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]triazol-1-yl]propanamide?

The InChIKey is YLDCLQQXDBFKIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F3N8O3/c1-14-8-18(31-23(9-14)32-22-10-16(5-6-29-22)25(26,27)28)19-13-36(35-33-19)15(2)24(37)30-12-17-11-21(39-34-17)20-4-3-7-38-20/h3-11,13,15H,12H2,1-2H3,(H,30,37)(H,29,31,32).

What are the key properties of N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-2-[4-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]triazol-1-yl]propanamide?

N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-2-[4-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]triazol-1-yl]propanamide has a molecular weight of 538.49 g/mol, XLogP of 4.93, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-2-[4-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]triazol-1-yl]propanamide is sourced from PubChem (CID 118324412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).