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

C23H27N3O5 — CID 25238087

IUPACN-[1-(3,4-dimethoxyphenyl)ethyl]-2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
SMILESCOc1ccc(C(C)NC(=O)COc2ccc(-c3nc(C(C)C)no3)cc2)cc1OC
InChIInChI=1S/C23H27N3O5/c1-14(2)22-25-23(31-26-22)16-6-9-18(10-7-16)30-13-21(27)24-15(3)17-8-11-19(28-4)20(12-17)29-5/h6-12,14-15H,13H2,1-5H3,(H,24,27)
InChIKeyYKCSBUMGRZHYHW-UHFFFAOYSA-N
MW425.49 g/mol
LogP4.13
Rot. Bonds9

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

N-[1-(3,4-dimethoxyphenyl)ethyl]-2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide (PubChem CID 25238087) has the molecular formula C23H27N3O5 and a molecular weight of 425.49 g/mol. Its IUPAC name is N-[1-(3,4-dimethoxyphenyl)ethyl]-2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide.

Molecular Properties

Compound NameN-[1-(3,4-dimethoxyphenyl)ethyl]-2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
PubChem CID25238087
Molecular FormulaC23H27N3O5
Molecular Weight425.49 g/mol
Exact Mass425.20
IUPAC NameN-[1-(3,4-dimethoxyphenyl)ethyl]-2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
SMILESCOc1ccc(C(C)NC(=O)COc2ccc(-c3nc(C(C)C)no3)cc2)cc1OC
InChIInChI=1S/C23H27N3O5/c1-14(2)22-25-23(31-26-22)16-6-9-18(10-7-16)30-13-21(27)24-15(3)17-8-11-19(28-4)20(12-17)29-5/h6-12,14-15H,13H2,1-5H3,(H,24,27)
InChIKeyYKCSBUMGRZHYHW-UHFFFAOYSA-N
XLogP4.13
TPSA95.71 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-tert-butylphenoxy)-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 17329495
2-(3,5-dimethoxyphenoxy)-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 92685210
2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]acetic acid
CID 23010469
N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-2-(3,5-dimethylphenoxy)acetamide
CID 94048948
N-(3-methylbutyl)-2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
CID 25238347
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-(4-methoxyphenoxy)acetamide
CID 18118290
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
CID 92870339
N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide
CID 30128720
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide
CID 30128717
2-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]-N-[(1R)-1-phenylethyl]acetamide
CID 39818952
N-(2-bromo-4-methylphenyl)-2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
CID 25237928
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-[1-(3,4-dimethoxyphenyl)ethyl]-2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide?
The IUPAC name of N-[1-(3,4-dimethoxyphenyl)ethyl]-2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide (CID 25238087) is N-[1-(3,4-dimethoxyphenyl)ethyl]-2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide.
What is the SMILES notation for N-[1-(3,4-dimethoxyphenyl)ethyl]-2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide?
The canonical SMILES for N-[1-(3,4-dimethoxyphenyl)ethyl]-2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide is COc1ccc(C(C)NC(=O)COc2ccc(-c3nc(C(C)C)no3)cc2)cc1OC.
What is the InChIKey of N-[1-(3,4-dimethoxyphenyl)ethyl]-2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide?
The InChIKey is YKCSBUMGRZHYHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O5/c1-14(2)22-25-23(31-26-22)16-6-9-18(10-7-16)30-13-21(27)24-15(3)17-8-11-19(28-4)20(12-17)29-5/h6-12,14-15H,13H2,1-5H3,(H,24,27).
What are the key properties of N-[1-(3,4-dimethoxyphenyl)ethyl]-2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide?
N-[1-(3,4-dimethoxyphenyl)ethyl]-2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide has a molecular weight of 425.49 g/mol, XLogP of 4.13, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dimethoxyphenyl)ethyl]-2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide is sourced from PubChem (CID 25238087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).