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

C20H21N3O4 — CID 39867676

IUPAC2-(2-methoxyphenoxy)-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]acetamide
SMILESCOc1ccccc1OCC(=O)NCCc1nc(-c2ccc(C)cc2)no1
InChIInChI=1S/C20H21N3O4/c1-14-7-9-15(10-8-14)20-22-19(27-23-20)11-12-21-18(24)13-26-17-6-4-3-5-16(17)25-2/h3-10H,11-13H2,1-2H3,(H,21,24)
InChIKeyNGUHRTFSWFKNNL-UHFFFAOYSA-N
MW367.41 g/mol
LogP2.79
Rot. Bonds8

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

2-(2-methoxyphenoxy)-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]acetamide (PubChem CID 39867676) has the molecular formula C20H21N3O4 and a molecular weight of 367.41 g/mol. Its IUPAC name is 2-(2-methoxyphenoxy)-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]acetamide.

Molecular Properties

Compound Name2-(2-methoxyphenoxy)-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]acetamide
PubChem CID39867676
Molecular FormulaC20H21N3O4
Molecular Weight367.41 g/mol
Exact Mass367.15
IUPAC Name2-(2-methoxyphenoxy)-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]acetamide
SMILESCOc1ccccc1OCC(=O)NCCc1nc(-c2ccc(C)cc2)no1
InChIInChI=1S/C20H21N3O4/c1-14-7-9-15(10-8-14)20-22-19(27-23-20)11-12-21-18(24)13-26-17-6-4-3-5-16(17)25-2/h3-10H,11-13H2,1-2H3,(H,21,24)
InChIKeyNGUHRTFSWFKNNL-UHFFFAOYSA-N
XLogP2.79
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-methylphenoxy)-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]acetamide
CID 39835008
N-[2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methoxybenzamide
CID 4896437
2,6-dimethoxy-N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 110324222
N-(2-methoxyphenyl)-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 3160338
2-(2-methoxyphenoxy)-N-[2-(5-methyl-1,3-oxazol-2-yl)ethyl]acetamide
CID 110660588
N-[2-(2-methoxyphenyl)ethyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 30135441
N-butyl-2-[2-methoxy-4-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
CID 46267238
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 9270064
3-(4-methylphenyl)-N-[2-[(2-phenoxyacetyl)amino]ethyl]-1,2,4-oxadiazole-5-carboxamide
CID 17083485
N-ethyl-2-[2-methoxy-4-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
CID 46267236
N'-[2-(2,6-dimethylphenoxy)acetyl]-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanehydrazide
CID 9087609
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[4-(4-methylphenoxy)butyl]propanamide
CID 55751256

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenoxy)-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]acetamide?
The IUPAC name of 2-(2-methoxyphenoxy)-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]acetamide (CID 39867676) is 2-(2-methoxyphenoxy)-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]acetamide.
What is the SMILES notation for 2-(2-methoxyphenoxy)-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]acetamide?
The canonical SMILES for 2-(2-methoxyphenoxy)-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]acetamide is COc1ccccc1OCC(=O)NCCc1nc(-c2ccc(C)cc2)no1.
What is the InChIKey of 2-(2-methoxyphenoxy)-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]acetamide?
The InChIKey is NGUHRTFSWFKNNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4/c1-14-7-9-15(10-8-14)20-22-19(27-23-20)11-12-21-18(24)13-26-17-6-4-3-5-16(17)25-2/h3-10H,11-13H2,1-2H3,(H,21,24).
What are the key properties of 2-(2-methoxyphenoxy)-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]acetamide?
2-(2-methoxyphenoxy)-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]acetamide has a molecular weight of 367.41 g/mol, XLogP of 2.79, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenoxy)-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]acetamide is sourced from PubChem (CID 39867676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).