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

C19H19N3O4 — CID 6473367

IUPAC2-(3-methoxyphenoxy)-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide
SMILESCOc1cccc(OCC(=O)N(C)Cc2nc(-c3ccccc3)no2)c1
InChIInChI=1S/C19H19N3O4/c1-22(18(23)13-25-16-10-6-9-15(11-16)24-2)12-17-20-19(21-26-17)14-7-4-3-5-8-14/h3-11H,12-13H2,1-2H3
InChIKeyIQXAEEDCRVDEEP-UHFFFAOYSA-N
MW353.38 g/mol
LogP2.78
Rot. Bonds7

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

2-(3-methoxyphenoxy)-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide (PubChem CID 6473367) has the molecular formula C19H19N3O4 and a molecular weight of 353.38 g/mol. Its IUPAC name is 2-(3-methoxyphenoxy)-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(3-methoxyphenoxy)-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide
PubChem CID6473367
Molecular FormulaC19H19N3O4
Molecular Weight353.38 g/mol
Exact Mass353.14
IUPAC Name2-(3-methoxyphenoxy)-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide
SMILESCOc1cccc(OCC(=O)N(C)Cc2nc(-c3ccccc3)no2)c1
InChIInChI=1S/C19H19N3O4/c1-22(18(23)13-25-16-10-6-9-15(11-16)24-2)12-17-20-19(21-26-17)14-7-4-3-5-8-14/h3-11H,12-13H2,1-2H3
InChIKeyIQXAEEDCRVDEEP-UHFFFAOYSA-N
XLogP2.78
TPSA77.69 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenoxy)-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide?
The IUPAC name of 2-(3-methoxyphenoxy)-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide (CID 6473367) is 2-(3-methoxyphenoxy)-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide.
What is the SMILES notation for 2-(3-methoxyphenoxy)-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide?
The canonical SMILES for 2-(3-methoxyphenoxy)-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide is COc1cccc(OCC(=O)N(C)Cc2nc(-c3ccccc3)no2)c1.
What is the InChIKey of 2-(3-methoxyphenoxy)-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide?
The InChIKey is IQXAEEDCRVDEEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4/c1-22(18(23)13-25-16-10-6-9-15(11-16)24-2)12-17-20-19(21-26-17)14-7-4-3-5-8-14/h3-11H,12-13H2,1-2H3.
What are the key properties of 2-(3-methoxyphenoxy)-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide?
2-(3-methoxyphenoxy)-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide has a molecular weight of 353.38 g/mol, XLogP of 2.78, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenoxy)-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide is sourced from PubChem (CID 6473367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).