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

C18H17N3O4 — CID 2228413

IUPAC2-(2-methoxyphenoxy)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide
SMILESCOc1ccccc1OCC(=O)NCc1nc(-c2ccccc2)no1
InChIInChI=1S/C18H17N3O4/c1-23-14-9-5-6-10-15(14)24-12-16(22)19-11-17-20-18(21-25-17)13-7-3-2-4-8-13/h2-10H,11-12H2,1H3,(H,19,22)
InChIKeyXUSZWZIWSRRXKW-UHFFFAOYSA-N
MW339.35 g/mol
LogP2.44
Rot. Bonds7

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

2-(2-methoxyphenoxy)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide (PubChem CID 2228413) has the molecular formula C18H17N3O4 and a molecular weight of 339.35 g/mol. Its IUPAC name is 2-(2-methoxyphenoxy)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(2-methoxyphenoxy)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide
PubChem CID2228413
Molecular FormulaC18H17N3O4
Molecular Weight339.35 g/mol
Exact Mass339.12
IUPAC Name2-(2-methoxyphenoxy)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide
SMILESCOc1ccccc1OCC(=O)NCc1nc(-c2ccccc2)no1
InChIInChI=1S/C18H17N3O4/c1-23-14-9-5-6-10-15(14)24-12-16(22)19-11-17-20-18(21-25-17)13-7-3-2-4-8-13/h2-10H,11-12H2,1H3,(H,19,22)
InChIKeyXUSZWZIWSRRXKW-UHFFFAOYSA-N
XLogP2.44
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenoxy)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide?
The IUPAC name of 2-(2-methoxyphenoxy)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide (CID 2228413) is 2-(2-methoxyphenoxy)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide.
What is the SMILES notation for 2-(2-methoxyphenoxy)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide?
The canonical SMILES for 2-(2-methoxyphenoxy)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide is COc1ccccc1OCC(=O)NCc1nc(-c2ccccc2)no1.
What is the InChIKey of 2-(2-methoxyphenoxy)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide?
The InChIKey is XUSZWZIWSRRXKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4/c1-23-14-9-5-6-10-15(14)24-12-16(22)19-11-17-20-18(21-25-17)13-7-3-2-4-8-13/h2-10H,11-12H2,1H3,(H,19,22).
What are the key properties of 2-(2-methoxyphenoxy)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide?
2-(2-methoxyphenoxy)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide has a molecular weight of 339.35 g/mol, XLogP of 2.44, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenoxy)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide is sourced from PubChem (CID 2228413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).