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

C20H20ClN3O3 — CID 50745941

IUPACN-[(4-chlorophenyl)methyl]-2-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
SMILESCC(C)c1noc(-c2ccccc2OCC(=O)NCc2ccc(Cl)cc2)n1
InChIInChI=1S/C20H20ClN3O3/c1-13(2)19-23-20(27-24-19)16-5-3-4-6-17(16)26-12-18(25)22-11-14-7-9-15(21)10-8-14/h3-10,13H,11-12H2,1-2H3,(H,22,25)
InChIKeyIHXWJXDRWRMFQC-UHFFFAOYSA-N
MW385.85 g/mol
LogP4.21
Rot. Bonds7

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

N-[(4-chlorophenyl)methyl]-2-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide (PubChem CID 50745941) has the molecular formula C20H20ClN3O3 and a molecular weight of 385.85 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
PubChem CID50745941
Molecular FormulaC20H20ClN3O3
Molecular Weight385.85 g/mol
Exact Mass385.12
IUPAC NameN-[(4-chlorophenyl)methyl]-2-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
SMILESCC(C)c1noc(-c2ccccc2OCC(=O)NCc2ccc(Cl)cc2)n1
InChIInChI=1S/C20H20ClN3O3/c1-13(2)19-23-20(27-24-19)16-5-3-4-6-17(16)26-12-18(25)22-11-14-7-9-15(21)10-8-14/h3-10,13H,11-12H2,1-2H3,(H,22,25)
InChIKeyIHXWJXDRWRMFQC-UHFFFAOYSA-N
XLogP4.21
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.85
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(4-chlorophenyl)methyl]-2-[2-(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

N-(2-methoxyphenyl)-2-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
CID 50745967
N-(3,5-dimethylphenyl)-2-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
CID 50745916
N-cyclohexyl-2-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
CID 50745834
4-[[2-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]acetyl]amino]benzamide
CID 50745875
N-(2,5-dimethylphenyl)-2-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
CID 50745776
N-(2,4-dimethoxyphenyl)-2-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
CID 50745915
ethyl 4-[[2-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]acetyl]amino]benzoate
CID 50745863
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
CID 46971254
N-[(4-chlorophenyl)methyl]-2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
CID 25238051
4-chloro-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]benzamide
CID 73254044
2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-N-[2-methyl-6-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]acetamide
CID 56568465
N-benzyl-2-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenoxy]acetamide
CID 20939884

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide (CID 50745941) is N-[(4-chlorophenyl)methyl]-2-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide is CC(C)c1noc(-c2ccccc2OCC(=O)NCc2ccc(Cl)cc2)n1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide?
The InChIKey is IHXWJXDRWRMFQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O3/c1-13(2)19-23-20(27-24-19)16-5-3-4-6-17(16)26-12-18(25)22-11-14-7-9-15(21)10-8-14/h3-10,13H,11-12H2,1-2H3,(H,22,25).
What are the key properties of N-[(4-chlorophenyl)methyl]-2-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide?
N-[(4-chlorophenyl)methyl]-2-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide has a molecular weight of 385.85 g/mol, XLogP of 4.21, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide is sourced from PubChem (CID 50745941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).