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

C25H23N3O4 — CID 50746036

IUPACN-(2-ethoxyphenyl)-2-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide
SMILESCCOc1ccccc1NC(=O)COc1ccccc1-c1nc(-c2ccc(C)cc2)no1
InChIInChI=1S/C25H23N3O4/c1-3-30-22-11-7-5-9-20(22)26-23(29)16-31-21-10-6-4-8-19(21)25-27-24(28-32-25)18-14-12-17(2)13-15-18/h4-15H,3,16H2,1-2H3,(H,26,29)
InChIKeyQMNCZNGRHADVEN-UHFFFAOYSA-N
MW429.48 g/mol
LogP5.13
Rot. Bonds8

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

N-(2-ethoxyphenyl)-2-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide (PubChem CID 50746036) has the molecular formula C25H23N3O4 and a molecular weight of 429.48 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-2-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-2-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide
PubChem CID50746036
Molecular FormulaC25H23N3O4
Molecular Weight429.48 g/mol
Exact Mass429.17
IUPAC NameN-(2-ethoxyphenyl)-2-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide
SMILESCCOc1ccccc1NC(=O)COc1ccccc1-c1nc(-c2ccc(C)cc2)no1
InChIInChI=1S/C25H23N3O4/c1-3-30-22-11-7-5-9-20(22)26-23(29)16-31-21-10-6-4-8-19(21)25-27-24(28-32-25)18-14-12-17(2)13-15-18/h4-15H,3,16H2,1-2H3,(H,26,29)
InChIKeyQMNCZNGRHADVEN-UHFFFAOYSA-N
XLogP5.13
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.48
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(2-ethoxyphenyl)-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 19658008
N-(4-fluorophenyl)-2-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide
CID 50746047
N,N-diethyl-2-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide
CID 50746022
N-(2,3-dimethylphenyl)-2-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide
CID 50746105
N-(2,5-dimethylphenyl)-2-[2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide
CID 46264826
2-[2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenoxy]-N-(4-methylphenyl)acetamide
CID 50745782
2-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]-N-pyrimidin-2-ylacetamide
CID 50746144
2-(3,5-dimethylphenoxy)-N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]acetamide
CID 30331365
N-(2-methylphenyl)-2-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide
CID 25237779
2-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]-N-(oxolan-2-ylmethyl)acetamide
CID 50746083
N-(2,3-dimethylphenyl)-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
CID 50745798
N-(3,5-dimethylphenyl)-2-[2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide
CID 50746040

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-2-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide?
The IUPAC name of N-(2-ethoxyphenyl)-2-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide (CID 50746036) is N-(2-ethoxyphenyl)-2-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-2-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide?
The canonical SMILES for N-(2-ethoxyphenyl)-2-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide is CCOc1ccccc1NC(=O)COc1ccccc1-c1nc(-c2ccc(C)cc2)no1.
What is the InChIKey of N-(2-ethoxyphenyl)-2-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide?
The InChIKey is QMNCZNGRHADVEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O4/c1-3-30-22-11-7-5-9-20(22)26-23(29)16-31-21-10-6-4-8-19(21)25-27-24(28-32-25)18-14-12-17(2)13-15-18/h4-15H,3,16H2,1-2H3,(H,26,29).
What are the key properties of N-(2-ethoxyphenyl)-2-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide?
N-(2-ethoxyphenyl)-2-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide has a molecular weight of 429.48 g/mol, XLogP of 5.13, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-2-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide is sourced from PubChem (CID 50746036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).