N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide

C25H32N4O4 — CID 55715489

IUPACN-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
SMILESCCN(CC)CCOc1ccccc1CNC(=O)CCc1nc(-c2ccc(OC)cc2)no1
InChIInChI=1S/C25H32N4O4/c1-4-29(5-2)16-17-32-22-9-7-6-8-20(22)18-26-23(30)14-15-24-27-25(28-33-24)19-10-12-21(31-3)13-11-19/h6-13H,4-5,14-18H2,1-3H3,(H,26,30)
InChIKeyDALKSPIDPRPCLH-UHFFFAOYSA-N
MW452.56 g/mol
LogP3.71
Rot. Bonds13

About N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide

N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide (PubChem CID 55715489) has the molecular formula C25H32N4O4 and a molecular weight of 452.56 g/mol. Its IUPAC name is N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide.

Molecular Properties

Compound NameN-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
PubChem CID55715489
Molecular FormulaC25H32N4O4
Molecular Weight452.56 g/mol
Exact Mass452.24
IUPAC NameN-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
SMILESCCN(CC)CCOc1ccccc1CNC(=O)CCc1nc(-c2ccc(OC)cc2)no1
InChIInChI=1S/C25H32N4O4/c1-4-29(5-2)16-17-32-22-9-7-6-8-20(22)18-26-23(30)14-15-24-27-25(28-33-24)19-10-12-21(31-3)13-11-19/h6-13H,4-5,14-18H2,1-3H3,(H,26,30)
InChIKeyDALKSPIDPRPCLH-UHFFFAOYSA-N
XLogP3.71
TPSA89.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.56
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide 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

3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(2-methoxyphenyl)methyl]propanamide
CID 9270323
N-[(2-methoxyphenyl)methyl]-3-[3-(4-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 50832232
N-[2-(2-fluorophenyl)ethyl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 51312188
N-(2-ethylphenyl)-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 20851576
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]propanamide
CID 51132390
N-[(3,4-dimethoxyphenyl)methyl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 17442023
3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]propanamide
CID 46455974
3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(naphthalen-1-ylmethyl)propanamide
CID 100761177
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(pyridin-3-ylmethyl)propanamide
CID 667378
3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[(6-methoxynaphthalen-2-yl)methyl]propanamide
CID 46588266
N-[(2-methoxyphenyl)methyl]-3-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 100761955
N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 24610661

Frequently Asked Questions

What is the IUPAC name of N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The IUPAC name of N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide (CID 55715489) is N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide.
What is the SMILES notation for N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The canonical SMILES for N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide is CCN(CC)CCOc1ccccc1CNC(=O)CCc1nc(-c2ccc(OC)cc2)no1.
What is the InChIKey of N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The InChIKey is DALKSPIDPRPCLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O4/c1-4-29(5-2)16-17-32-22-9-7-6-8-20(22)18-26-23(30)14-15-24-27-25(28-33-24)19-10-12-21(31-3)13-11-19/h6-13H,4-5,14-18H2,1-3H3,(H,26,30).
What are the key properties of N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide has a molecular weight of 452.56 g/mol, XLogP of 3.71, 13 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide is sourced from PubChem (CID 55715489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).