N-butyl-3-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]propanamide

C17H23N3O2 — CID 18150912

IUPACN-butyl-3-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
SMILESCCCCNC(=O)CCc1nc(-c2ccc(CC)cc2)no1
InChIInChI=1S/C17H23N3O2/c1-3-5-12-18-15(21)10-11-16-19-17(20-22-16)14-8-6-13(4-2)7-9-14/h6-9H,3-5,10-12H2,1-2H3,(H,18,21)
InChIKeyNZKXPRIGHDEQSM-UHFFFAOYSA-N
MW301.39 g/mol
LogP3.15
Rot. Bonds8

About N-butyl-3-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]propanamide

N-butyl-3-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]propanamide (PubChem CID 18150912) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is N-butyl-3-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]propanamide.

Molecular Properties

Compound NameN-butyl-3-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
PubChem CID18150912
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC NameN-butyl-3-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
SMILESCCCCNC(=O)CCc1nc(-c2ccc(CC)cc2)no1
InChIInChI=1S/C17H23N3O2/c1-3-5-12-18-15(21)10-11-16-19-17(20-22-16)14-8-6-13(4-2)7-9-14/h6-9H,3-5,10-12H2,1-2H3,(H,18,21)
InChIKeyNZKXPRIGHDEQSM-UHFFFAOYSA-N
XLogP3.15
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-butyl-3-[3-(4-ethylphenyl)-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

3-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-N-butylpropanamide
CID 99722466
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-nonylpropanamide
CID 55554395
3-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]-N-[(4-fluorophenyl)methyl]propanamide
CID 16616471
3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-propylpropanamide
CID 27256344
3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-propylpropanamide
CID 3159509
3-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]-N-propylpropanamide
CID 17101446
4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-pentylbutanamide
CID 38885235
3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-pentylpropanamide
CID 18108283
3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]-N-propylpropanamide
CID 18148189
N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-3-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 24622416
N-(3-aminopropyl)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 119406004
4-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]butanoic acid
CID 51064825

Frequently Asked Questions

What is the IUPAC name of N-butyl-3-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The IUPAC name of N-butyl-3-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]propanamide (CID 18150912) is N-butyl-3-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]propanamide.
What is the SMILES notation for N-butyl-3-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The canonical SMILES for N-butyl-3-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]propanamide is CCCCNC(=O)CCc1nc(-c2ccc(CC)cc2)no1.
What is the InChIKey of N-butyl-3-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The InChIKey is NZKXPRIGHDEQSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-3-5-12-18-15(21)10-11-16-19-17(20-22-16)14-8-6-13(4-2)7-9-14/h6-9H,3-5,10-12H2,1-2H3,(H,18,21).
What are the key properties of N-butyl-3-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
N-butyl-3-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]propanamide has a molecular weight of 301.39 g/mol, XLogP of 3.15, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]propanamide is sourced from PubChem (CID 18150912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).