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

C20H19N3O4 — CID 45032764

IUPAC2-[2-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)COc1ccccc1-c1noc(-c2cccc(OC)c2)n1
InChIInChI=1S/C20H19N3O4/c1-3-11-21-18(24)13-26-17-10-5-4-9-16(17)19-22-20(27-23-19)14-7-6-8-15(12-14)25-2/h3-10,12H,1,11,13H2,2H3,(H,21,24)
InChIKeyDFHBSSKSIKWRNK-UHFFFAOYSA-N
MW365.39 g/mol
LogP3.09
Rot. Bonds8

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

2-[2-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-prop-2-enylacetamide (PubChem CID 45032764) has the molecular formula C20H19N3O4 and a molecular weight of 365.39 g/mol. Its IUPAC name is 2-[2-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-[2-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-prop-2-enylacetamide
PubChem CID45032764
Molecular FormulaC20H19N3O4
Molecular Weight365.39 g/mol
Exact Mass365.14
IUPAC Name2-[2-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)COc1ccccc1-c1noc(-c2cccc(OC)c2)n1
InChIInChI=1S/C20H19N3O4/c1-3-11-21-18(24)13-26-17-10-5-4-9-16(17)19-22-20(27-23-19)14-7-6-8-15(12-14)25-2/h3-10,12H,1,11,13H2,2H3,(H,21,24)
InChIKeyDFHBSSKSIKWRNK-UHFFFAOYSA-N
XLogP3.09
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[3-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-prop-2-enylacetamide
CID 45032444
2-[2-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-phenylacetamide
CID 45032585
2-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]-N-prop-2-enylacetamide
CID 50755671
N-benzyl-2-[3-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
CID 45032489
2-[2-[5-[(4-chlorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenoxy]-N-prop-2-enylacetamide
CID 50753468
2-(3-methoxyphenoxy)-N-prop-2-enylacetamide
CID 19204009
2-(2-phenylphenoxy)-N-prop-2-enylacetamide
CID 7971284
N-(4-methoxyphenyl)-2-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
CID 46266503
2-[2-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-(2-methylphenyl)acetamide
CID 45032644
N-(3-methoxyphenyl)-2-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide
CID 46266536
2-(4-methoxyphenyl)-N-[3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]acetamide
CID 4912727
2-[3-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-(2-methylphenyl)acetamide
CID 45032483

Frequently Asked Questions

What is the IUPAC name of 2-[2-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-prop-2-enylacetamide?
The IUPAC name of 2-[2-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-prop-2-enylacetamide (CID 45032764) is 2-[2-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-prop-2-enylacetamide.
What is the SMILES notation for 2-[2-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-prop-2-enylacetamide?
The canonical SMILES for 2-[2-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-prop-2-enylacetamide is C=CCNC(=O)COc1ccccc1-c1noc(-c2cccc(OC)c2)n1.
What is the InChIKey of 2-[2-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-prop-2-enylacetamide?
The InChIKey is DFHBSSKSIKWRNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4/c1-3-11-21-18(24)13-26-17-10-5-4-9-16(17)19-22-20(27-23-19)14-7-6-8-15(12-14)25-2/h3-10,12H,1,11,13H2,2H3,(H,21,24).
What are the key properties of 2-[2-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-prop-2-enylacetamide?
2-[2-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-prop-2-enylacetamide has a molecular weight of 365.39 g/mol, XLogP of 3.09, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-prop-2-enylacetamide is sourced from PubChem (CID 45032764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).