2-[4-(5-ethoxy-6-oxopiperidin-3-yl)-2-fluorophenyl]-N-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]acetamide

C22H25F4N3O4 — CID 139208337

IUPAC2-[4-(5-ethoxy-6-oxopiperidin-3-yl)-2-fluorophenyl]-N-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]acetamide
SMILESCCOC1CC(c2ccc(CC(=O)Nc3cc(C(C)(C)C(F)(F)F)on3)c(F)c2)CNC1=O
InChIInChI=1S/C22H25F4N3O4/c1-4-32-16-8-14(11-27-20(16)31)12-5-6-13(15(23)7-12)9-19(30)28-18-10-17(33-29-18)21(2,3)22(24,25)26/h5-7,10,14,16H,4,8-9,11H2,1-3H3,(H,27,31)(H,28,29,30)
InChIKeyHEVBJVPAZJIHBP-UHFFFAOYSA-N
MW471.45 g/mol
LogP3.84
Rot. Bonds7

About 2-[4-(5-ethoxy-6-oxopiperidin-3-yl)-2-fluorophenyl]-N-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]acetamide

2-[4-(5-ethoxy-6-oxopiperidin-3-yl)-2-fluorophenyl]-N-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]acetamide (PubChem CID 139208337) has the molecular formula C22H25F4N3O4 and a molecular weight of 471.45 g/mol. Its IUPAC name is 2-[4-(5-ethoxy-6-oxopiperidin-3-yl)-2-fluorophenyl]-N-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]acetamide.

Molecular Properties

Compound Name2-[4-(5-ethoxy-6-oxopiperidin-3-yl)-2-fluorophenyl]-N-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]acetamide
PubChem CID139208337
Molecular FormulaC22H25F4N3O4
Molecular Weight471.45 g/mol
Exact Mass471.18
IUPAC Name2-[4-(5-ethoxy-6-oxopiperidin-3-yl)-2-fluorophenyl]-N-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]acetamide
SMILESCCOC1CC(c2ccc(CC(=O)Nc3cc(C(C)(C)C(F)(F)F)on3)c(F)c2)CNC1=O
InChIInChI=1S/C22H25F4N3O4/c1-4-32-16-8-14(11-27-20(16)31)12-5-6-13(15(23)7-12)9-19(30)28-18-10-17(33-29-18)21(2,3)22(24,25)26/h5-7,10,14,16H,4,8-9,11H2,1-3H3,(H,27,31)(H,28,29,30)
InChIKeyHEVBJVPAZJIHBP-UHFFFAOYSA-N
XLogP3.84
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.45
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[4-(5-ethoxy-6-oxopiperidin-3-yl)-2-fluorophenyl]-N-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-ethoxy-6-oxopiperidin-3-yl)-2-fluorophenyl]-N-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]acetamide?
The IUPAC name of 2-[4-(5-ethoxy-6-oxopiperidin-3-yl)-2-fluorophenyl]-N-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]acetamide (CID 139208337) is 2-[4-(5-ethoxy-6-oxopiperidin-3-yl)-2-fluorophenyl]-N-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]acetamide.
What is the SMILES notation for 2-[4-(5-ethoxy-6-oxopiperidin-3-yl)-2-fluorophenyl]-N-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]acetamide?
The canonical SMILES for 2-[4-(5-ethoxy-6-oxopiperidin-3-yl)-2-fluorophenyl]-N-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]acetamide is CCOC1CC(c2ccc(CC(=O)Nc3cc(C(C)(C)C(F)(F)F)on3)c(F)c2)CNC1=O.
What is the InChIKey of 2-[4-(5-ethoxy-6-oxopiperidin-3-yl)-2-fluorophenyl]-N-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]acetamide?
The InChIKey is HEVBJVPAZJIHBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F4N3O4/c1-4-32-16-8-14(11-27-20(16)31)12-5-6-13(15(23)7-12)9-19(30)28-18-10-17(33-29-18)21(2,3)22(24,25)26/h5-7,10,14,16H,4,8-9,11H2,1-3H3,(H,27,31)(H,28,29,30).
What are the key properties of 2-[4-(5-ethoxy-6-oxopiperidin-3-yl)-2-fluorophenyl]-N-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]acetamide?
2-[4-(5-ethoxy-6-oxopiperidin-3-yl)-2-fluorophenyl]-N-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]acetamide has a molecular weight of 471.45 g/mol, XLogP of 3.84, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-ethoxy-6-oxopiperidin-3-yl)-2-fluorophenyl]-N-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]acetamide is sourced from PubChem (CID 139208337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).