3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-pentylpropanamide

C17H21ClN2O2 — CID 18135458

IUPAC3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-pentylpropanamide
SMILESCCCCCNC(=O)CCc1ncc(-c2ccccc2Cl)o1
InChIInChI=1S/C17H21ClN2O2/c1-2-3-6-11-19-16(21)9-10-17-20-12-15(22-17)13-7-4-5-8-14(13)18/h4-5,7-8,12H,2-3,6,9-11H2,1H3,(H,19,21)
InChIKeyXGWACUYOGNNXCA-UHFFFAOYSA-N
MW320.82 g/mol
LogP4.23
Rot. Bonds8

About 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-pentylpropanamide

3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-pentylpropanamide (PubChem CID 18135458) has the molecular formula C17H21ClN2O2 and a molecular weight of 320.82 g/mol. Its IUPAC name is 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-pentylpropanamide.

Molecular Properties

Compound Name3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-pentylpropanamide
PubChem CID18135458
Molecular FormulaC17H21ClN2O2
Molecular Weight320.82 g/mol
Exact Mass320.13
IUPAC Name3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-pentylpropanamide
SMILESCCCCCNC(=O)CCc1ncc(-c2ccccc2Cl)o1
InChIInChI=1S/C17H21ClN2O2/c1-2-3-6-11-19-16(21)9-10-17-20-12-15(22-17)13-7-4-5-8-14(13)18/h4-5,7-8,12H,2-3,6,9-11H2,1H3,(H,19,21)
InChIKeyXGWACUYOGNNXCA-UHFFFAOYSA-N
XLogP4.23
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.82
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-pentylpropanamide 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

3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[3-(methylamino)propyl]propanamide;dihydrochloride
CID 119429994
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-(3-phenoxypropyl)propanamide
CID 18137997
N-(2-amino-2-ethylbutyl)-3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propanamide
CID 119640145
3-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-octylpropanamide
CID 18859405
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]propanamide
CID 43067351
N-[(2S)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propanamide
CID 34689755
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-(2-naphthalen-2-yloxyethyl)propanamide
CID 16599298
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 16596708
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[(1S,2R)-2-ethylcyclopropyl]propanamide
CID 95628030
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[(1S,2S)-2-ethylcyclopropyl]propanamide
CID 95628031
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[(2R)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]propanamide
CID 30528420
3-(5-phenyl-1,3-oxazol-2-yl)-N-propylpropanamide
CID 18135781

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-pentylpropanamide?
The IUPAC name of 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-pentylpropanamide (CID 18135458) is 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-pentylpropanamide.
What is the SMILES notation for 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-pentylpropanamide?
The canonical SMILES for 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-pentylpropanamide is CCCCCNC(=O)CCc1ncc(-c2ccccc2Cl)o1.
What is the InChIKey of 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-pentylpropanamide?
The InChIKey is XGWACUYOGNNXCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O2/c1-2-3-6-11-19-16(21)9-10-17-20-12-15(22-17)13-7-4-5-8-14(13)18/h4-5,7-8,12H,2-3,6,9-11H2,1H3,(H,19,21).
What are the key properties of 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-pentylpropanamide?
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-pentylpropanamide has a molecular weight of 320.82 g/mol, XLogP of 4.23, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-pentylpropanamide is sourced from PubChem (CID 18135458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).