N-(2-butoxy-5-methoxyphenyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide

C20H23N3O4S — CID 35363903

IUPACN-(2-butoxy-5-methoxyphenyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCCCCOc1ccc(OC)cc1NC(=O)CCc1nc(-c2cccs2)no1
InChIInChI=1S/C20H23N3O4S/c1-3-4-11-26-16-8-7-14(25-2)13-15(16)21-18(24)9-10-19-22-20(23-27-19)17-6-5-12-28-17/h5-8,12-13H,3-4,9-11H2,1-2H3,(H,21,24)
InChIKeyVOKISPWNIMCJDJ-UHFFFAOYSA-N
MW401.49 g/mol
LogP4.56
Rot. Bonds10

About N-(2-butoxy-5-methoxyphenyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide

N-(2-butoxy-5-methoxyphenyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide (PubChem CID 35363903) has the molecular formula C20H23N3O4S and a molecular weight of 401.49 g/mol. Its IUPAC name is N-(2-butoxy-5-methoxyphenyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide.

Molecular Properties

Compound NameN-(2-butoxy-5-methoxyphenyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
PubChem CID35363903
Molecular FormulaC20H23N3O4S
Molecular Weight401.49 g/mol
Exact Mass401.14
IUPAC NameN-(2-butoxy-5-methoxyphenyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCCCCOc1ccc(OC)cc1NC(=O)CCc1nc(-c2cccs2)no1
InChIInChI=1S/C20H23N3O4S/c1-3-4-11-26-16-8-7-14(25-2)13-15(16)21-18(24)9-10-19-22-20(23-27-19)17-6-5-12-28-17/h5-8,12-13H,3-4,9-11H2,1-2H3,(H,21,24)
InChIKeyVOKISPWNIMCJDJ-UHFFFAOYSA-N
XLogP4.56
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.49
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(2-butoxy-5-methoxyphenyl)-3-(3-thiophen-2-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-(3-methoxyphenyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 15990412
4-methoxy-N-methyl-3-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide
CID 87001861
N-[2-(4-ethoxyphenoxy)phenyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 24503205
N-[1-(4-methoxyphenyl)propyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 18115498
N-(4,5-dimethoxy-2-methylphenyl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 38910698
N-[2-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 52615179
N-[(3-methoxy-4-propoxyphenyl)methyl]-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 46453947
N-[2-(ethylaminomethyl)phenyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 119438806
N-(2,5-dimethoxyphenyl)-3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 100758426
N-(2-fluoro-5-methylphenyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 36666041
3-methoxy-4-(3-methylbutoxy)-N'-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoyl]benzohydrazide
CID 31724259
3-(2-aminophenyl)-N-(2-butoxy-5-methoxyphenyl)propanamide;hydrochloride
CID 120608796

Frequently Asked Questions

What is the IUPAC name of N-(2-butoxy-5-methoxyphenyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide?
The IUPAC name of N-(2-butoxy-5-methoxyphenyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide (CID 35363903) is N-(2-butoxy-5-methoxyphenyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide.
What is the SMILES notation for N-(2-butoxy-5-methoxyphenyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide?
The canonical SMILES for N-(2-butoxy-5-methoxyphenyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide is CCCCOc1ccc(OC)cc1NC(=O)CCc1nc(-c2cccs2)no1.
What is the InChIKey of N-(2-butoxy-5-methoxyphenyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide?
The InChIKey is VOKISPWNIMCJDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4S/c1-3-4-11-26-16-8-7-14(25-2)13-15(16)21-18(24)9-10-19-22-20(23-27-19)17-6-5-12-28-17/h5-8,12-13H,3-4,9-11H2,1-2H3,(H,21,24).
What are the key properties of N-(2-butoxy-5-methoxyphenyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide?
N-(2-butoxy-5-methoxyphenyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide has a molecular weight of 401.49 g/mol, XLogP of 4.56, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butoxy-5-methoxyphenyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide is sourced from PubChem (CID 35363903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).