N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide

C21H28N4O3 — CID 30483528

IUPACN-[3-(2-oxopyrrolidin-1-yl)propyl]-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
SMILESCC(C)c1ccc(-c2noc(CCC(=O)NCCCN3CCCC3=O)n2)cc1
InChIInChI=1S/C21H28N4O3/c1-15(2)16-6-8-17(9-7-16)21-23-19(28-24-21)11-10-18(26)22-12-4-14-25-13-3-5-20(25)27/h6-9,15H,3-5,10-14H2,1-2H3,(H,22,26)
InChIKeyNLCKQSSBSTWEHU-UHFFFAOYSA-N
MW384.48 g/mol
LogP2.92
Rot. Bonds9

About N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide

N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide (PubChem CID 30483528) has the molecular formula C21H28N4O3 and a molecular weight of 384.48 g/mol. Its IUPAC name is N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide.

Molecular Properties

Compound NameN-[3-(2-oxopyrrolidin-1-yl)propyl]-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
PubChem CID30483528
Molecular FormulaC21H28N4O3
Molecular Weight384.48 g/mol
Exact Mass384.22
IUPAC NameN-[3-(2-oxopyrrolidin-1-yl)propyl]-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
SMILESCC(C)c1ccc(-c2noc(CCC(=O)NCCCN3CCCC3=O)n2)cc1
InChIInChI=1S/C21H28N4O3/c1-15(2)16-6-8-17(9-7-16)21-23-19(28-24-21)11-10-18(26)22-12-4-14-25-13-3-5-20(25)27/h6-9,15H,3-5,10-14H2,1-2H3,(H,22,26)
InChIKeyNLCKQSSBSTWEHU-UHFFFAOYSA-N
XLogP2.92
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-[3-(4-propan-2-ylphenyl)-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-aminopropyl)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 119406004
5-[3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]pentanoic acid
CID 119234607
3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]-N-propylpropanamide
CID 18148189
N-(3-imidazol-1-ylpropyl)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 51331174
N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 55526537
3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]propanamide
CID 55931412
N-[2-oxo-2-(propylamino)ethyl]-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 35354145
N-(3-benzylsulfonylpropyl)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 55663640
N-[(1-hydroxycyclobutyl)methyl]-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 111444896
N-[3-(azepan-1-yl)propyl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 20851549
N-[3-(1H-benzimidazol-2-yl)propyl]-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 31122671
N-[(4-chlorophenyl)methyl]-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 31064361

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The IUPAC name of N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide (CID 30483528) is N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide.
What is the SMILES notation for N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The canonical SMILES for N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide is CC(C)c1ccc(-c2noc(CCC(=O)NCCCN3CCCC3=O)n2)cc1.
What is the InChIKey of N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The InChIKey is NLCKQSSBSTWEHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O3/c1-15(2)16-6-8-17(9-7-16)21-23-19(28-24-21)11-10-18(26)22-12-4-14-25-13-3-5-20(25)27/h6-9,15H,3-5,10-14H2,1-2H3,(H,22,26).
What are the key properties of N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide has a molecular weight of 384.48 g/mol, XLogP of 2.92, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide is sourced from PubChem (CID 30483528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).