3-chloro-N-[2-oxo-2-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propylamino]ethyl]benzamide

C17H21ClN4O3 — CID 49084815

IUPAC3-chloro-N-[2-oxo-2-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propylamino]ethyl]benzamide
SMILESCC(C)c1noc(CCCNC(=O)CNC(=O)c2cccc(Cl)c2)n1
InChIInChI=1S/C17H21ClN4O3/c1-11(2)16-21-15(25-22-16)7-4-8-19-14(23)10-20-17(24)12-5-3-6-13(18)9-12/h3,5-6,9,11H,4,7-8,10H2,1-2H3,(H,19,23)(H,20,24)
InChIKeyVSYOHFBMGVSCRY-UHFFFAOYSA-N
MW364.83 g/mol
LogP2.33
Rot. Bonds8

About 3-chloro-N-[2-oxo-2-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propylamino]ethyl]benzamide

3-chloro-N-[2-oxo-2-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propylamino]ethyl]benzamide (PubChem CID 49084815) has the molecular formula C17H21ClN4O3 and a molecular weight of 364.83 g/mol. Its IUPAC name is 3-chloro-N-[2-oxo-2-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propylamino]ethyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[2-oxo-2-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propylamino]ethyl]benzamide
PubChem CID49084815
Molecular FormulaC17H21ClN4O3
Molecular Weight364.83 g/mol
Exact Mass364.13
IUPAC Name3-chloro-N-[2-oxo-2-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propylamino]ethyl]benzamide
SMILESCC(C)c1noc(CCCNC(=O)CNC(=O)c2cccc(Cl)c2)n1
InChIInChI=1S/C17H21ClN4O3/c1-11(2)16-21-15(25-22-16)7-4-8-19-14(23)10-20-17(24)12-5-3-6-13(18)9-12/h3,5-6,9,11H,4,7-8,10H2,1-2H3,(H,19,23)(H,20,24)
InChIKeyVSYOHFBMGVSCRY-UHFFFAOYSA-N
XLogP2.33
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.83
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-chloro-N-[2-oxo-2-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propylamino]ethyl]benzamide 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

1-(3-chlorophenyl)-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]pyrazole-4-carboxamide
CID 49031740
4-[[2-[(3-chlorobenzoyl)amino]acetyl]amino]butanoic acid
CID 43241156
N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]pentanamide
CID 60590938
N-[2-[5-[3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)propyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]-3-chlorobenzamide
CID 146088960
N-(3-hydroxypropyl)-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 110893892
4-[methyl(propan-2-yl)sulfamoyl]-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]benzamide
CID 49032493
(2R)-2-[[2-[(3-chlorobenzoyl)amino]acetyl]amino]propanoic acid
CID 54991487
3-chloro-N-[2-oxo-2-(4-propan-2-ylanilino)ethyl]benzamide
CID 24537992
[3-(benzylcarbamoyl)phenyl] 4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanoate
CID 55754589
3-nitro-N'-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanoyl]benzohydrazide
CID 55752242
1-[2-(3-chlorophenyl)ethyl]-3-ethyl-2-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]guanidine
CID 111357624
2-(3-methyl-4-oxophthalazin-1-yl)-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]acetamide
CID 49032784

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-oxo-2-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propylamino]ethyl]benzamide?
The IUPAC name of 3-chloro-N-[2-oxo-2-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propylamino]ethyl]benzamide (CID 49084815) is 3-chloro-N-[2-oxo-2-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propylamino]ethyl]benzamide.
What is the SMILES notation for 3-chloro-N-[2-oxo-2-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propylamino]ethyl]benzamide?
The canonical SMILES for 3-chloro-N-[2-oxo-2-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propylamino]ethyl]benzamide is CC(C)c1noc(CCCNC(=O)CNC(=O)c2cccc(Cl)c2)n1.
What is the InChIKey of 3-chloro-N-[2-oxo-2-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propylamino]ethyl]benzamide?
The InChIKey is VSYOHFBMGVSCRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4O3/c1-11(2)16-21-15(25-22-16)7-4-8-19-14(23)10-20-17(24)12-5-3-6-13(18)9-12/h3,5-6,9,11H,4,7-8,10H2,1-2H3,(H,19,23)(H,20,24).
What are the key properties of 3-chloro-N-[2-oxo-2-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propylamino]ethyl]benzamide?
3-chloro-N-[2-oxo-2-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propylamino]ethyl]benzamide has a molecular weight of 364.83 g/mol, XLogP of 2.33, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-oxo-2-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propylamino]ethyl]benzamide is sourced from PubChem (CID 49084815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).