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

C21H23N3O5 — CID 50745915

IUPACN-(2,4-dimethoxyphenyl)-2-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
SMILESCOc1ccc(NC(=O)COc2ccccc2-c2nc(C(C)C)no2)c(OC)c1
InChIInChI=1S/C21H23N3O5/c1-13(2)20-23-21(29-24-20)15-7-5-6-8-17(15)28-12-19(25)22-16-10-9-14(26-3)11-18(16)27-4/h5-11,13H,12H2,1-4H3,(H,22,25)
InChIKeyXNBBCHWSVNWVGI-UHFFFAOYSA-N
MW397.43 g/mol
LogP3.89
Rot. Bonds8

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

N-(2,4-dimethoxyphenyl)-2-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide (PubChem CID 50745915) has the molecular formula C21H23N3O5 and a molecular weight of 397.43 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-2-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-2-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
PubChem CID50745915
Molecular FormulaC21H23N3O5
Molecular Weight397.43 g/mol
Exact Mass397.16
IUPAC NameN-(2,4-dimethoxyphenyl)-2-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
SMILESCOc1ccc(NC(=O)COc2ccccc2-c2nc(C(C)C)no2)c(OC)c1
InChIInChI=1S/C21H23N3O5/c1-13(2)20-23-21(29-24-20)15-7-5-6-8-17(15)28-12-19(25)22-16-10-9-14(26-3)11-18(16)27-4/h5-11,13H,12H2,1-4H3,(H,22,25)
InChIKeyXNBBCHWSVNWVGI-UHFFFAOYSA-N
XLogP3.89
TPSA95.71 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.43
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-methoxyphenyl)-2-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
CID 50745967
N-(2,5-dimethylphenyl)-2-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
CID 50745776
N-(3,5-dimethylphenyl)-2-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
CID 50745916
4-[[2-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]acetyl]amino]benzamide
CID 50745875
N-cyclohexyl-2-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
CID 50745834
N-(2,4-dimethoxyphenyl)-2-(2-ethoxyphenoxy)acetamide
CID 7930919
ethyl 4-[[2-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]acetyl]amino]benzoate
CID 50745863
N-(2,4-dimethoxyphenyl)-2-(4-methoxyphenoxy)acetamide
CID 868059
N-[(4-chlorophenyl)methyl]-2-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
CID 50745941
N-(2,4-dimethoxyphenyl)-4-ethoxy-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)benzenesulfonamide
CID 50747618
2-[2-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-phenylacetamide
CID 45032585
N-(4-bromo-2-methylphenyl)-2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
CID 25237925

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-2-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-2-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide (CID 50745915) is N-(2,4-dimethoxyphenyl)-2-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-2-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-2-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide is COc1ccc(NC(=O)COc2ccccc2-c2nc(C(C)C)no2)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-2-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide?
The InChIKey is XNBBCHWSVNWVGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O5/c1-13(2)20-23-21(29-24-20)15-7-5-6-8-17(15)28-12-19(25)22-16-10-9-14(26-3)11-18(16)27-4/h5-11,13H,12H2,1-4H3,(H,22,25).
What are the key properties of N-(2,4-dimethoxyphenyl)-2-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide?
N-(2,4-dimethoxyphenyl)-2-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide has a molecular weight of 397.43 g/mol, XLogP of 3.89, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-2-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide is sourced from PubChem (CID 50745915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).