N-[[4-(diethylaminomethyl)phenyl]methyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide

C21H26N4O2S — CID 18118904

IUPACN-[[4-(diethylaminomethyl)phenyl]methyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCCN(CC)Cc1ccc(CNC(=O)CCc2nc(-c3ccsc3)no2)cc1
InChIInChI=1S/C21H26N4O2S/c1-3-25(4-2)14-17-7-5-16(6-8-17)13-22-19(26)9-10-20-23-21(24-27-20)18-11-12-28-15-18/h5-8,11-12,15H,3-4,9-10,13-14H2,1-2H3,(H,22,26)
InChIKeyFNMQLNQKQALUQR-UHFFFAOYSA-N
MW398.53 g/mol
LogP3.89
Rot. Bonds10

About N-[[4-(diethylaminomethyl)phenyl]methyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide

N-[[4-(diethylaminomethyl)phenyl]methyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide (PubChem CID 18118904) has the molecular formula C21H26N4O2S and a molecular weight of 398.53 g/mol. Its IUPAC name is N-[[4-(diethylaminomethyl)phenyl]methyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide.

Molecular Properties

Compound NameN-[[4-(diethylaminomethyl)phenyl]methyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
PubChem CID18118904
Molecular FormulaC21H26N4O2S
Molecular Weight398.53 g/mol
Exact Mass398.18
IUPAC NameN-[[4-(diethylaminomethyl)phenyl]methyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCCN(CC)Cc1ccc(CNC(=O)CCc2nc(-c3ccsc3)no2)cc1
InChIInChI=1S/C21H26N4O2S/c1-3-25(4-2)14-17-7-5-16(6-8-17)13-22-19(26)9-10-20-23-21(24-27-20)18-11-12-28-15-18/h5-8,11-12,15H,3-4,9-10,13-14H2,1-2H3,(H,22,26)
InChIKeyFNMQLNQKQALUQR-UHFFFAOYSA-N
XLogP3.89
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.53
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[4-(diethylaminomethyl)phenyl]methyl]-3-(3-thiophen-3-yl-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

N-[[4-(diethylaminomethyl)phenyl]methyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 18118907
N-[(4-cyclopropylphenyl)methyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 119048312
N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 56552120
4-[[ethyl-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoyl]amino]methyl]-N,N-dimethylbenzamide
CID 56511534
N-[2-(4-fluorophenyl)ethyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 9080782
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 31544496
N-[(2,4-dichlorophenyl)methyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 9082302
N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 18117961
N-(3-aminobutyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 119496253
N-methyl-4-[[methyl-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoyl]amino]methyl]benzamide
CID 8967841
3-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]-N-[(4-fluorophenyl)methyl]propanamide
CID 16616471
N-[1-(4-ethylphenyl)-2-methylpropyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 43013763

Frequently Asked Questions

What is the IUPAC name of N-[[4-(diethylaminomethyl)phenyl]methyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide?
The IUPAC name of N-[[4-(diethylaminomethyl)phenyl]methyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide (CID 18118904) is N-[[4-(diethylaminomethyl)phenyl]methyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide.
What is the SMILES notation for N-[[4-(diethylaminomethyl)phenyl]methyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide?
The canonical SMILES for N-[[4-(diethylaminomethyl)phenyl]methyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide is CCN(CC)Cc1ccc(CNC(=O)CCc2nc(-c3ccsc3)no2)cc1.
What is the InChIKey of N-[[4-(diethylaminomethyl)phenyl]methyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide?
The InChIKey is FNMQLNQKQALUQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2S/c1-3-25(4-2)14-17-7-5-16(6-8-17)13-22-19(26)9-10-20-23-21(24-27-20)18-11-12-28-15-18/h5-8,11-12,15H,3-4,9-10,13-14H2,1-2H3,(H,22,26).
What are the key properties of N-[[4-(diethylaminomethyl)phenyl]methyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide?
N-[[4-(diethylaminomethyl)phenyl]methyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide has a molecular weight of 398.53 g/mol, XLogP of 3.89, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(diethylaminomethyl)phenyl]methyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide is sourced from PubChem (CID 18118904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).