3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(3-methylphenyl)ethyl]propanamide

C21H23N3O3 — CID 15999655

IUPAC3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(3-methylphenyl)ethyl]propanamide
SMILESCOc1ccc(-c2noc(CCC(=O)NCCc3cccc(C)c3)n2)cc1
InChIInChI=1S/C21H23N3O3/c1-15-4-3-5-16(14-15)12-13-22-19(25)10-11-20-23-21(24-27-20)17-6-8-18(26-2)9-7-17/h3-9,14H,10-13H2,1-2H3,(H,22,25)
InChIKeyVILRWRBIXRPZQJ-UHFFFAOYSA-N
MW365.43 g/mol
LogP3.35
Rot. Bonds8

About 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(3-methylphenyl)ethyl]propanamide

3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(3-methylphenyl)ethyl]propanamide (PubChem CID 15999655) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(3-methylphenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(3-methylphenyl)ethyl]propanamide
PubChem CID15999655
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(3-methylphenyl)ethyl]propanamide
SMILESCOc1ccc(-c2noc(CCC(=O)NCCc3cccc(C)c3)n2)cc1
InChIInChI=1S/C21H23N3O3/c1-15-4-3-5-16(14-15)12-13-22-19(25)10-11-20-23-21(24-27-20)17-6-8-18(26-2)9-7-17/h3-9,14H,10-13H2,1-2H3,(H,22,25)
InChIKeyVILRWRBIXRPZQJ-UHFFFAOYSA-N
XLogP3.35
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(3-methylphenyl)ethyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(3-methylphenyl)ethyl]propanamide?
The IUPAC name of 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(3-methylphenyl)ethyl]propanamide (CID 15999655) is 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(3-methylphenyl)ethyl]propanamide.
What is the SMILES notation for 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(3-methylphenyl)ethyl]propanamide?
The canonical SMILES for 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(3-methylphenyl)ethyl]propanamide is COc1ccc(-c2noc(CCC(=O)NCCc3cccc(C)c3)n2)cc1.
What is the InChIKey of 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(3-methylphenyl)ethyl]propanamide?
The InChIKey is VILRWRBIXRPZQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-15-4-3-5-16(14-15)12-13-22-19(25)10-11-20-23-21(24-27-20)17-6-8-18(26-2)9-7-17/h3-9,14H,10-13H2,1-2H3,(H,22,25).
What are the key properties of 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(3-methylphenyl)ethyl]propanamide?
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(3-methylphenyl)ethyl]propanamide has a molecular weight of 365.43 g/mol, XLogP of 3.35, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(3-methylphenyl)ethyl]propanamide is sourced from PubChem (CID 15999655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).