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

C14H15N3O3 — CID 50755671

IUPAC2-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)COc1cccc(-c2noc(C)n2)c1
InChIInChI=1S/C14H15N3O3/c1-3-7-15-13(18)9-19-12-6-4-5-11(8-12)14-16-10(2)20-17-14/h3-6,8H,1,7,9H2,2H3,(H,15,18)
InChIKeyWDIDJUURVRTHPA-UHFFFAOYSA-N
MW273.29 g/mol
LogP1.73
Rot. Bonds6

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

2-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]-N-prop-2-enylacetamide (PubChem CID 50755671) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is 2-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]-N-prop-2-enylacetamide
PubChem CID50755671
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name2-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)COc1cccc(-c2noc(C)n2)c1
InChIInChI=1S/C14H15N3O3/c1-3-7-15-13(18)9-19-12-6-4-5-11(8-12)14-16-10(2)20-17-14/h3-6,8H,1,7,9H2,2H3,(H,15,18)
InChIKeyWDIDJUURVRTHPA-UHFFFAOYSA-N
XLogP1.73
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 51.73
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

2-[3-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-prop-2-enylacetamide
CID 45032444
N-[2-(4-fluorophenyl)ethyl]-2-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]acetamide
CID 55729286
2-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 55733747
N-[1-(3,4-dimethylphenyl)ethyl]-2-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]acetamide
CID 55733377
2-[2-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-prop-2-enylacetamide
CID 45032764
2-(3-methoxyphenoxy)-N-prop-2-enylacetamide
CID 19204009
2-(3-ethylphenoxy)-N-prop-2-enylacetamide
CID 19177242
2-(3-iodophenoxy)-N-prop-2-enylacetamide
CID 60626724
2-[3-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-phenylacetamide
CID 45032388
N-methyl-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]acetamide
CID 47119130
2-(3-phenoxyphenoxy)-N-prop-2-enylacetamide
CID 2681751
N-benzyl-2-[3-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
CID 45032489

Frequently Asked Questions

What is the IUPAC name of 2-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]-N-prop-2-enylacetamide?
The IUPAC name of 2-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]-N-prop-2-enylacetamide (CID 50755671) is 2-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]-N-prop-2-enylacetamide.
What is the SMILES notation for 2-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]-N-prop-2-enylacetamide?
The canonical SMILES for 2-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]-N-prop-2-enylacetamide is C=CCNC(=O)COc1cccc(-c2noc(C)n2)c1.
What is the InChIKey of 2-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]-N-prop-2-enylacetamide?
The InChIKey is WDIDJUURVRTHPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-3-7-15-13(18)9-19-12-6-4-5-11(8-12)14-16-10(2)20-17-14/h3-6,8H,1,7,9H2,2H3,(H,15,18).
What are the key properties of 2-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]-N-prop-2-enylacetamide?
2-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]-N-prop-2-enylacetamide has a molecular weight of 273.29 g/mol, XLogP of 1.73, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]-N-prop-2-enylacetamide is sourced from PubChem (CID 50755671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).