2-[3-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-prop-2-enylacetamide

C19H16FN3O3 — CID 45032444

IUPAC2-[3-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)COc1cccc(-c2noc(-c3ccc(F)cc3)n2)c1
InChIInChI=1S/C19H16FN3O3/c1-2-10-21-17(24)12-25-16-5-3-4-14(11-16)18-22-19(26-23-18)13-6-8-15(20)9-7-13/h2-9,11H,1,10,12H2,(H,21,24)
InChIKeySJYJXEJOCIIYIL-UHFFFAOYSA-N
MW353.35 g/mol
LogP3.22
Rot. Bonds7

About 2-[3-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-prop-2-enylacetamide

2-[3-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-prop-2-enylacetamide (PubChem CID 45032444) has the molecular formula C19H16FN3O3 and a molecular weight of 353.35 g/mol. Its IUPAC name is 2-[3-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-[3-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-prop-2-enylacetamide
PubChem CID45032444
Molecular FormulaC19H16FN3O3
Molecular Weight353.35 g/mol
Exact Mass353.12
IUPAC Name2-[3-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)COc1cccc(-c2noc(-c3ccc(F)cc3)n2)c1
InChIInChI=1S/C19H16FN3O3/c1-2-10-21-17(24)12-25-16-5-3-4-14(11-16)18-22-19(26-23-18)13-6-8-15(20)9-7-13/h2-9,11H,1,10,12H2,(H,21,24)
InChIKeySJYJXEJOCIIYIL-UHFFFAOYSA-N
XLogP3.22
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.35
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(4-fluorophenyl)-2-[3-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
CID 45032439
2-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]-N-prop-2-enylacetamide
CID 50755671
2-[3-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-(4-fluorophenyl)acetamide
CID 45032427
2-[2-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-prop-2-enylacetamide
CID 45032764
N-benzyl-2-[3-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
CID 50755668
N-[2-(4-fluorophenyl)ethyl]-2-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]acetamide
CID 55729286
2-[3-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-phenylacetamide
CID 45032423
5-(4-methylphenyl)-3-(3-prop-2-enoxyphenyl)-1,2,4-oxadiazole
CID 46043984
N-benzyl-2-[3-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
CID 45032489
2-[3-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-phenylacetamide
CID 45032388
N-(3-chlorophenyl)-2-[3-(5-phenyl-1,2,4-oxadiazol-3-yl)phenoxy]acetamide
CID 45032369
2-[3-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-(2-methoxyphenyl)acetamide
CID 50754145

Frequently Asked Questions

What is the IUPAC name of 2-[3-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-prop-2-enylacetamide?
The IUPAC name of 2-[3-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-prop-2-enylacetamide (CID 45032444) is 2-[3-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-prop-2-enylacetamide.
What is the SMILES notation for 2-[3-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-prop-2-enylacetamide?
The canonical SMILES for 2-[3-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-prop-2-enylacetamide is C=CCNC(=O)COc1cccc(-c2noc(-c3ccc(F)cc3)n2)c1.
What is the InChIKey of 2-[3-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-prop-2-enylacetamide?
The InChIKey is SJYJXEJOCIIYIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O3/c1-2-10-21-17(24)12-25-16-5-3-4-14(11-16)18-22-19(26-23-18)13-6-8-15(20)9-7-13/h2-9,11H,1,10,12H2,(H,21,24).
What are the key properties of 2-[3-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-prop-2-enylacetamide?
2-[3-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-prop-2-enylacetamide has a molecular weight of 353.35 g/mol, XLogP of 3.22, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-prop-2-enylacetamide is sourced from PubChem (CID 45032444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).