3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(2-fluorophenoxy)ethyl]-N-methylpropanamide

C20H19ClFN3O3 — CID 31666101

IUPAC3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(2-fluorophenoxy)ethyl]-N-methylpropanamide
SMILESCN(CCOc1ccccc1F)C(=O)CCc1nc(-c2ccc(Cl)cc2)no1
InChIInChI=1S/C20H19ClFN3O3/c1-25(12-13-27-17-5-3-2-4-16(17)22)19(26)11-10-18-23-20(24-28-18)14-6-8-15(21)9-7-14/h2-9H,10-13H2,1H3
InChIKeyIMGAXCLWQPMQRM-UHFFFAOYSA-N
MW403.84 g/mol
LogP4.00
Rot. Bonds8

About 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(2-fluorophenoxy)ethyl]-N-methylpropanamide

3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(2-fluorophenoxy)ethyl]-N-methylpropanamide (PubChem CID 31666101) has the molecular formula C20H19ClFN3O3 and a molecular weight of 403.84 g/mol. Its IUPAC name is 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(2-fluorophenoxy)ethyl]-N-methylpropanamide.

Molecular Properties

Compound Name3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(2-fluorophenoxy)ethyl]-N-methylpropanamide
PubChem CID31666101
Molecular FormulaC20H19ClFN3O3
Molecular Weight403.84 g/mol
Exact Mass403.11
IUPAC Name3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(2-fluorophenoxy)ethyl]-N-methylpropanamide
SMILESCN(CCOc1ccccc1F)C(=O)CCc1nc(-c2ccc(Cl)cc2)no1
InChIInChI=1S/C20H19ClFN3O3/c1-25(12-13-27-17-5-3-2-4-16(17)22)19(26)11-10-18-23-20(24-28-18)14-6-8-15(21)9-7-14/h2-9H,10-13H2,1H3
InChIKeyIMGAXCLWQPMQRM-UHFFFAOYSA-N
XLogP4.00
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.84
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(2-fluorophenoxy)ethyl]-N-methylpropanamide 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

4-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanoyl-methylamino]butanoic acid
CID 119172916
N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 35347663
4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-(3,3,3-trifluoropropyl)butanamide
CID 86833646
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-3-phenylpropanamide
CID 8836361
3-(2-aminophenyl)-N-[2-(2-fluorophenoxy)ethyl]-N-methylpropanamide
CID 120608378
N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 46523344
N-[2-(dimethylamino)ethyl]-N-[(2-fluorophenyl)methyl]-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 55981030
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-4-phenylbutanamide
CID 8874898
N-butyl-N-methyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 110330704
N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide
CID 46671505
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]propanamide
CID 31848008
2-(4-chlorophenyl)sulfonyl-N-[2-(2-fluorophenoxy)ethyl]-N-methylacetamide
CID 18124124

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(2-fluorophenoxy)ethyl]-N-methylpropanamide?
The IUPAC name of 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(2-fluorophenoxy)ethyl]-N-methylpropanamide (CID 31666101) is 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(2-fluorophenoxy)ethyl]-N-methylpropanamide.
What is the SMILES notation for 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(2-fluorophenoxy)ethyl]-N-methylpropanamide?
The canonical SMILES for 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(2-fluorophenoxy)ethyl]-N-methylpropanamide is CN(CCOc1ccccc1F)C(=O)CCc1nc(-c2ccc(Cl)cc2)no1.
What is the InChIKey of 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(2-fluorophenoxy)ethyl]-N-methylpropanamide?
The InChIKey is IMGAXCLWQPMQRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClFN3O3/c1-25(12-13-27-17-5-3-2-4-16(17)22)19(26)11-10-18-23-20(24-28-18)14-6-8-15(21)9-7-14/h2-9H,10-13H2,1H3.
What are the key properties of 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(2-fluorophenoxy)ethyl]-N-methylpropanamide?
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(2-fluorophenoxy)ethyl]-N-methylpropanamide has a molecular weight of 403.84 g/mol, XLogP of 4.00, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(2-fluorophenoxy)ethyl]-N-methylpropanamide is sourced from PubChem (CID 31666101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).