2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-[3-(2,3,5-trimethylphenoxy)propyl]acetamide

C22H24FN3O4 — CID 9482603

IUPAC2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-[3-(2,3,5-trimethylphenoxy)propyl]acetamide
SMILESCc1cc(C)c(C)c(OCCCNC(=O)Cn2nc(-c3ccc(F)cc3)oc2=O)c1
InChIInChI=1S/C22H24FN3O4/c1-14-11-15(2)16(3)19(12-14)29-10-4-9-24-20(27)13-26-22(28)30-21(25-26)17-5-7-18(23)8-6-17/h5-8,11-12H,4,9-10,13H2,1-3H3,(H,24,27)
InChIKeyFZEKUBYTHKMWIN-UHFFFAOYSA-N
MW413.45 g/mol
LogP3.15
Rot. Bonds8

About 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-[3-(2,3,5-trimethylphenoxy)propyl]acetamide

2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-[3-(2,3,5-trimethylphenoxy)propyl]acetamide (PubChem CID 9482603) has the molecular formula C22H24FN3O4 and a molecular weight of 413.45 g/mol. Its IUPAC name is 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-[3-(2,3,5-trimethylphenoxy)propyl]acetamide.

Molecular Properties

Compound Name2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-[3-(2,3,5-trimethylphenoxy)propyl]acetamide
PubChem CID9482603
Molecular FormulaC22H24FN3O4
Molecular Weight413.45 g/mol
Exact Mass413.18
IUPAC Name2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-[3-(2,3,5-trimethylphenoxy)propyl]acetamide
SMILESCc1cc(C)c(C)c(OCCCNC(=O)Cn2nc(-c3ccc(F)cc3)oc2=O)c1
InChIInChI=1S/C22H24FN3O4/c1-14-11-15(2)16(3)19(12-14)29-10-4-9-24-20(27)13-26-22(28)30-21(25-26)17-5-7-18(23)8-6-17/h5-8,11-12H,4,9-10,13H2,1-3H3,(H,24,27)
InChIKeyFZEKUBYTHKMWIN-UHFFFAOYSA-N
XLogP3.15
TPSA86.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.45
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(4-fluoro-2-methylphenyl)-2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetamide
CID 9426253
2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-(propylcarbamoyl)acetamide
CID 27040137
2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N',N'-dimethylacetohydrazide
CID 9180359
N-(4-chloro-2-methylphenyl)-2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetamide
CID 27039883
N-[[4-(dimethylamino)phenyl]methyl]-2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetamide
CID 9305124
N-(4-ethoxyphenyl)-2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetamide
CID 9040319
2-(4-pyrimidin-2-ylpiperazin-1-yl)-N-[3-(2,3,5-trimethylphenoxy)propyl]acetamide
CID 8595884
N-[(3-chlorophenyl)methyl]-2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetamide
CID 9209879
2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-[(1S)-1-(2-methylphenyl)ethyl]acetamide
CID 27040316
(2S)-N-ethyl-2-[[2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetyl]amino]propanamide
CID 9470551
2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 42891981
N-[(4,5-dimethoxy-2-methylphenyl)methyl]-2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-methylacetamide
CID 9277247

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-[3-(2,3,5-trimethylphenoxy)propyl]acetamide?
The IUPAC name of 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-[3-(2,3,5-trimethylphenoxy)propyl]acetamide (CID 9482603) is 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-[3-(2,3,5-trimethylphenoxy)propyl]acetamide.
What is the SMILES notation for 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-[3-(2,3,5-trimethylphenoxy)propyl]acetamide?
The canonical SMILES for 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-[3-(2,3,5-trimethylphenoxy)propyl]acetamide is Cc1cc(C)c(C)c(OCCCNC(=O)Cn2nc(-c3ccc(F)cc3)oc2=O)c1.
What is the InChIKey of 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-[3-(2,3,5-trimethylphenoxy)propyl]acetamide?
The InChIKey is FZEKUBYTHKMWIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O4/c1-14-11-15(2)16(3)19(12-14)29-10-4-9-24-20(27)13-26-22(28)30-21(25-26)17-5-7-18(23)8-6-17/h5-8,11-12H,4,9-10,13H2,1-3H3,(H,24,27).
What are the key properties of 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-[3-(2,3,5-trimethylphenoxy)propyl]acetamide?
2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-[3-(2,3,5-trimethylphenoxy)propyl]acetamide has a molecular weight of 413.45 g/mol, XLogP of 3.15, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-[3-(2,3,5-trimethylphenoxy)propyl]acetamide is sourced from PubChem (CID 9482603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).