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

C25H23N3O4 — CID 30331365

IUPAC2-(3,5-dimethylphenoxy)-N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]acetamide
SMILESCOc1ccc(-c2noc(-c3ccccc3NC(=O)COc3cc(C)cc(C)c3)n2)cc1
InChIInChI=1S/C25H23N3O4/c1-16-12-17(2)14-20(13-16)31-15-23(29)26-22-7-5-4-6-21(22)25-27-24(28-32-25)18-8-10-19(30-3)11-9-18/h4-14H,15H2,1-3H3,(H,26,29)
InChIKeyQKWAAKIZFGBDRX-UHFFFAOYSA-N
MW429.48 g/mol
LogP5.05
Rot. Bonds7

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

2-(3,5-dimethylphenoxy)-N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]acetamide (PubChem CID 30331365) has the molecular formula C25H23N3O4 and a molecular weight of 429.48 g/mol. Its IUPAC name is 2-(3,5-dimethylphenoxy)-N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]acetamide.

Molecular Properties

Compound Name2-(3,5-dimethylphenoxy)-N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]acetamide
PubChem CID30331365
Molecular FormulaC25H23N3O4
Molecular Weight429.48 g/mol
Exact Mass429.17
IUPAC Name2-(3,5-dimethylphenoxy)-N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]acetamide
SMILESCOc1ccc(-c2noc(-c3ccccc3NC(=O)COc3cc(C)cc(C)c3)n2)cc1
InChIInChI=1S/C25H23N3O4/c1-16-12-17(2)14-20(13-16)31-15-23(29)26-22-7-5-4-6-21(22)25-27-24(28-32-25)18-8-10-19(30-3)11-9-18/h4-14H,15H2,1-3H3,(H,26,29)
InChIKeyQKWAAKIZFGBDRX-UHFFFAOYSA-N
XLogP5.05
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.48
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-methylphenoxy)-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]acetamide
CID 20896070
2-phenoxy-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]acetamide
CID 4896404
N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-2-(2-nitrophenoxy)acetamide
CID 30331766
2-(3,4-dimethylphenoxy)-N-[2-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]acetamide
CID 30331308
N-[2-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]-2-(4-methoxyphenoxy)acetamide
CID 30331853
N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-4-methylpentanamide
CID 30333438
2-(4-methoxyphenyl)-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]acetamide
CID 4901930
2-(3-methylphenoxy)-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)phenyl]acetamide
CID 30331126
N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]hexanamide
CID 30333369
N-(2-methylphenyl)-2-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide
CID 25237779
2-(4-chlorophenyl)-N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]acetamide
CID 30332574
2-(4-methoxyphenoxy)-N-[2-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]phenyl]acetamide
CID 30331884

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylphenoxy)-N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]acetamide?
The IUPAC name of 2-(3,5-dimethylphenoxy)-N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]acetamide (CID 30331365) is 2-(3,5-dimethylphenoxy)-N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]acetamide.
What is the SMILES notation for 2-(3,5-dimethylphenoxy)-N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]acetamide?
The canonical SMILES for 2-(3,5-dimethylphenoxy)-N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]acetamide is COc1ccc(-c2noc(-c3ccccc3NC(=O)COc3cc(C)cc(C)c3)n2)cc1.
What is the InChIKey of 2-(3,5-dimethylphenoxy)-N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]acetamide?
The InChIKey is QKWAAKIZFGBDRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O4/c1-16-12-17(2)14-20(13-16)31-15-23(29)26-22-7-5-4-6-21(22)25-27-24(28-32-25)18-8-10-19(30-3)11-9-18/h4-14H,15H2,1-3H3,(H,26,29).
What are the key properties of 2-(3,5-dimethylphenoxy)-N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]acetamide?
2-(3,5-dimethylphenoxy)-N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]acetamide has a molecular weight of 429.48 g/mol, XLogP of 5.05, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylphenoxy)-N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]acetamide is sourced from PubChem (CID 30331365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).