2-[5-(2-ethoxyethoxymethyl)-1,2,4-oxadiazol-3-yl]-N-[3-(trifluoromethyl)phenyl]acetamide

C16H18F3N3O4 — CID 86792418

IUPAC2-[5-(2-ethoxyethoxymethyl)-1,2,4-oxadiazol-3-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESCCOCCOCc1nc(CC(=O)Nc2cccc(C(F)(F)F)c2)no1
InChIInChI=1S/C16H18F3N3O4/c1-2-24-6-7-25-10-15-21-13(22-26-15)9-14(23)20-12-5-3-4-11(8-12)16(17,18)19/h3-5,8H,2,6-7,9-10H2,1H3,(H,20,23)
InChIKeyOIFASUFVCFBOIU-UHFFFAOYSA-N
MW373.33 g/mol
LogP2.82
Rot. Bonds9

About 2-[5-(2-ethoxyethoxymethyl)-1,2,4-oxadiazol-3-yl]-N-[3-(trifluoromethyl)phenyl]acetamide

2-[5-(2-ethoxyethoxymethyl)-1,2,4-oxadiazol-3-yl]-N-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 86792418) has the molecular formula C16H18F3N3O4 and a molecular weight of 373.33 g/mol. Its IUPAC name is 2-[5-(2-ethoxyethoxymethyl)-1,2,4-oxadiazol-3-yl]-N-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[5-(2-ethoxyethoxymethyl)-1,2,4-oxadiazol-3-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID86792418
Molecular FormulaC16H18F3N3O4
Molecular Weight373.33 g/mol
Exact Mass373.12
IUPAC Name2-[5-(2-ethoxyethoxymethyl)-1,2,4-oxadiazol-3-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESCCOCCOCc1nc(CC(=O)Nc2cccc(C(F)(F)F)c2)no1
InChIInChI=1S/C16H18F3N3O4/c1-2-24-6-7-25-10-15-21-13(22-26-15)9-14(23)20-12-5-3-4-11(8-12)16(17,18)19/h3-5,8H,2,6-7,9-10H2,1H3,(H,20,23)
InChIKeyOIFASUFVCFBOIU-UHFFFAOYSA-N
XLogP2.82
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.33
LogP ≤ 52.82
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-cyclopentyl-3-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]-1,2,4-oxadiazole-5-carboxamide
CID 39340819
3-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-N-[3-(trifluoromethyl)phenyl]propanamide
CID 100759554
2-[3-ethoxypropyl-[[3-(trifluoromethyl)phenyl]carbamoyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 3637081
2-[3-ethoxypropyl-[[3-(trifluoromethyl)phenyl]carbamoyl]amino]-N-(1,2-oxazol-3-yl)acetamide
CID 4138130
2-[(5-methyl-1,2-oxazol-3-yl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 109009780
2-(5,6-dimethyl-1,2-benzoxazol-3-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 108791948
N-(3-ethoxypropyl)-3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]propanamide
CID 100756276
1-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 90562143
4-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]-N-[3-(trifluoromethyl)phenyl]butanamide
CID 24949375
[2-(methylamino)-2-oxoethyl]-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]azanium
CID 8771629
4-(2-ethoxyethoxy)-N-[[3-(trifluoromethyl)phenyl]carbamothioyl]benzamide
CID 17197853
2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 31301441

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-ethoxyethoxymethyl)-1,2,4-oxadiazol-3-yl]-N-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[5-(2-ethoxyethoxymethyl)-1,2,4-oxadiazol-3-yl]-N-[3-(trifluoromethyl)phenyl]acetamide (CID 86792418) is 2-[5-(2-ethoxyethoxymethyl)-1,2,4-oxadiazol-3-yl]-N-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[5-(2-ethoxyethoxymethyl)-1,2,4-oxadiazol-3-yl]-N-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[5-(2-ethoxyethoxymethyl)-1,2,4-oxadiazol-3-yl]-N-[3-(trifluoromethyl)phenyl]acetamide is CCOCCOCc1nc(CC(=O)Nc2cccc(C(F)(F)F)c2)no1.
What is the InChIKey of 2-[5-(2-ethoxyethoxymethyl)-1,2,4-oxadiazol-3-yl]-N-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is OIFASUFVCFBOIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N3O4/c1-2-24-6-7-25-10-15-21-13(22-26-15)9-14(23)20-12-5-3-4-11(8-12)16(17,18)19/h3-5,8H,2,6-7,9-10H2,1H3,(H,20,23).
What are the key properties of 2-[5-(2-ethoxyethoxymethyl)-1,2,4-oxadiazol-3-yl]-N-[3-(trifluoromethyl)phenyl]acetamide?
2-[5-(2-ethoxyethoxymethyl)-1,2,4-oxadiazol-3-yl]-N-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 373.33 g/mol, XLogP of 2.82, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-ethoxyethoxymethyl)-1,2,4-oxadiazol-3-yl]-N-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 86792418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).