N-[(2S)-1-[[5-(1,1-difluoroethyl)-3-fluoro-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-3-fluoro-2-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide

C₂₂H₂₂F₄N₄O₃ — CID 158843578

About N-[(2S)-1-[[5-(1,1-difluoroethyl)-3-fluoro-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-3-fluoro-2-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide

N-[(2S)-1-[[5-(1,1-difluoroethyl)-3-fluoro-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-3-fluoro-2-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide (PubChem CID 158843578) has the molecular formula C₂₂H₂₂F₄N₄O₃ and a molecular weight of 466.44 g/mol. Its IUPAC name is N-[(2S)-1-[[5-(1,1-difluoroethyl)-3-fluoro-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-3-fluoro-2-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide.

Molecular Properties

• Compound Name: N-[(2S)-1-[[5-(1,1-difluoroethyl)-3-fluoro-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-3-fluoro-2-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide
• PubChem CID: 158843578
• Molecular Formula: C₂₂H₂₂F₄N₄O₃
• Molecular Weight: 466.44 g/mol
• Exact Mass: 466.16
• IUPAC Name: N-[(2S)-1-[[5-(1,1-difluoroethyl)-3-fluoro-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-3-fluoro-2-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide
• SMILES: CCN(C(=O)c1cccc(F)c1-c1nnc(C)o1)[C@@H](C)COc1ncc(C(C)(F)F)cc1F
• InChI: InChI=1S/C22H22F4N4O3/c1-5-30(12(2)11-32-19-17(24)9-14(10-27-19)22(4,25)26)21(31)15-7-6-8-16(23)18(15)20-29-28-13(3)33-20/h6-10,12H,5,11H2,1-4H3/t12-/m0/s1
• InChIKey: IHGDULVCOXXIRH-LBPRGKRZSA-N
• XLogP: 4.76
• TPSA: 81.35 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	466.44
LogP ≤ 5	4.76
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[[5-(1,1-difluoroethyl)-3-fluoro-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-3-fluoro-2-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide?

The IUPAC name of N-[(2S)-1-[[5-(1,1-difluoroethyl)-3-fluoro-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-3-fluoro-2-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide (CID 158843578) is N-[(2S)-1-[[5-(1,1-difluoroethyl)-3-fluoro-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-3-fluoro-2-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide.

What is the SMILES notation for N-[(2S)-1-[[5-(1,1-difluoroethyl)-3-fluoro-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-3-fluoro-2-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide?

The canonical SMILES for N-[(2S)-1-[[5-(1,1-difluoroethyl)-3-fluoro-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-3-fluoro-2-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide is CCN(C(=O)c1cccc(F)c1-c1nnc(C)o1)[C@@H](C)COc1ncc(C(C)(F)F)cc1F.

What is the InChIKey of N-[(2S)-1-[[5-(1,1-difluoroethyl)-3-fluoro-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-3-fluoro-2-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide?

The InChIKey is IHGDULVCOXXIRH-LBPRGKRZSA-N. The full InChI is InChI=1S/C22H22F4N4O3/c1-5-30(12(2)11-32-19-17(24)9-14(10-27-19)22(4,25)26)21(31)15-7-6-8-16(23)18(15)20-29-28-13(3)33-20/h6-10,12H,5,11H2,1-4H3/t12-/m0/s1.

What are the key properties of N-[(2S)-1-[[5-(1,1-difluoroethyl)-3-fluoro-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-3-fluoro-2-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide?

N-[(2S)-1-[[5-(1,1-difluoroethyl)-3-fluoro-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-3-fluoro-2-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide has a molecular weight of 466.44 g/mol, XLogP of 4.76, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-1-[[5-(1,1-difluoroethyl)-3-fluoro-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-3-fluoro-2-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide is sourced from PubChem (CID 158843578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 158843578 — identifiers, structure, computed properties (public domain)

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