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

C25H23N3O3 — CID 50746040

IUPACN-(3,5-dimethylphenyl)-2-[2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide
SMILESCc1cc(C)cc(NC(=O)COc2ccccc2-c2nc(-c3ccccc3C)no2)c1
InChIInChI=1S/C25H23N3O3/c1-16-12-17(2)14-19(13-16)26-23(29)15-30-22-11-7-6-10-21(22)25-27-24(28-31-25)20-9-5-4-8-18(20)3/h4-14H,15H2,1-3H3,(H,26,29)
InChIKeyJPLLAXUQKLDKGA-UHFFFAOYSA-N
MW413.48 g/mol
LogP5.35
Rot. Bonds6

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

N-(3,5-dimethylphenyl)-2-[2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide (PubChem CID 50746040) has the molecular formula C25H23N3O3 and a molecular weight of 413.48 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-2-[2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-2-[2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide
PubChem CID50746040
Molecular FormulaC25H23N3O3
Molecular Weight413.48 g/mol
Exact Mass413.17
IUPAC NameN-(3,5-dimethylphenyl)-2-[2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide
SMILESCc1cc(C)cc(NC(=O)COc2ccccc2-c2nc(-c3ccccc3C)no2)c1
InChIInChI=1S/C25H23N3O3/c1-16-12-17(2)14-19(13-16)26-23(29)15-30-22-11-7-6-10-21(22)25-27-24(28-31-25)20-9-5-4-8-18(20)3/h4-14H,15H2,1-3H3,(H,26,29)
InChIKeyJPLLAXUQKLDKGA-UHFFFAOYSA-N
XLogP5.35
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.48
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,5-dimethylphenyl)-2-[2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide
CID 46264826
N-(3,5-dimethylphenyl)-2-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
CID 50745916
2-[2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetic acid
CID 23008204
2-[2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenoxy]-N-(4-methylphenyl)acetamide
CID 50745782
N-(4-fluorophenyl)-2-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide
CID 50746047
2-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]-N-pyrimidin-2-ylacetamide
CID 50746144
N-(2,3-dimethylphenyl)-2-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide
CID 50746105
N-(3-chlorophenyl)-2-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide
CID 50746167
2-[2-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-(4-methylphenyl)acetamide
CID 45032609
N-(3-methylphenyl)-2-[3-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
CID 45032399
2-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)phenoxy]-N-(4-methylphenyl)acetamide
CID 45032616
N-(2,3-dimethylphenyl)-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
CID 50745798

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-2-[2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide?
The IUPAC name of N-(3,5-dimethylphenyl)-2-[2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide (CID 50746040) is N-(3,5-dimethylphenyl)-2-[2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-2-[2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-2-[2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide is Cc1cc(C)cc(NC(=O)COc2ccccc2-c2nc(-c3ccccc3C)no2)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-2-[2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide?
The InChIKey is JPLLAXUQKLDKGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O3/c1-16-12-17(2)14-19(13-16)26-23(29)15-30-22-11-7-6-10-21(22)25-27-24(28-31-25)20-9-5-4-8-18(20)3/h4-14H,15H2,1-3H3,(H,26,29).
What are the key properties of N-(3,5-dimethylphenyl)-2-[2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide?
N-(3,5-dimethylphenyl)-2-[2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide has a molecular weight of 413.48 g/mol, XLogP of 5.35, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-2-[2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide is sourced from PubChem (CID 50746040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).