3-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]-N-ethylpropanamide

C17H23N3O2 — CID 665747

IUPAC3-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]-N-ethylpropanamide
SMILESCCNC(=O)CCc1nc(-c2ccc(C(C)(C)C)cc2)no1
InChIInChI=1S/C17H23N3O2/c1-5-18-14(21)10-11-15-19-16(20-22-15)12-6-8-13(9-7-12)17(2,3)4/h6-9H,5,10-11H2,1-4H3,(H,18,21)
InChIKeyGIJYGRLHNVZBPZ-UHFFFAOYSA-N
MW301.39 g/mol
LogP3.10
Rot. Bonds5

About 3-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]-N-ethylpropanamide

3-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]-N-ethylpropanamide (PubChem CID 665747) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 3-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]-N-ethylpropanamide.

Molecular Properties

Compound Name3-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]-N-ethylpropanamide
PubChem CID665747
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name3-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]-N-ethylpropanamide
SMILESCCNC(=O)CCc1nc(-c2ccc(C(C)(C)C)cc2)no1
InChIInChI=1S/C17H23N3O2/c1-5-18-14(21)10-11-15-19-16(20-22-15)12-6-8-13(9-7-12)17(2,3)4/h6-9H,5,10-11H2,1-4H3,(H,18,21)
InChIKeyGIJYGRLHNVZBPZ-UHFFFAOYSA-N
XLogP3.10
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-(Naphthalen-2-yl)-1,2,4-oxadiazol-5-yl]piperidine
CID 62715191
3-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide
CID 665654
3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-cyclopentylpropanamide
CID 1860472
N-cyclopentyl-3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 1945989
N-cyclohexyl-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 3160344
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-cyclohexylpropanamide
CID 1250477
N-[(2,2-dimethylcyclopentyl)methyl]-4-[5-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 10386016
(3R)-6-cyclohexyl-N-hydroxy-3-(3-phenyl-1,2,4-oxadiazol-5-yl)hexanamide
CID 16748676
N-(2-methylpropyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 2002505
(2S,3S)-2-amino-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-(pyrrolidin-1-yl)butan-1-one
CID 23645686
Slf1081851
CID 164517202
3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(tetrahydrofuran-2-ylmethyl)propanamide
CID 665456

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]-N-ethylpropanamide?
The IUPAC name of 3-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]-N-ethylpropanamide (CID 665747) is 3-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]-N-ethylpropanamide.
What is the SMILES notation for 3-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]-N-ethylpropanamide?
The canonical SMILES for 3-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]-N-ethylpropanamide is CCNC(=O)CCc1nc(-c2ccc(C(C)(C)C)cc2)no1.
What is the InChIKey of 3-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]-N-ethylpropanamide?
The InChIKey is GIJYGRLHNVZBPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-5-18-14(21)10-11-15-19-16(20-22-15)12-6-8-13(9-7-12)17(2,3)4/h6-9H,5,10-11H2,1-4H3,(H,18,21).
What are the key properties of 3-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]-N-ethylpropanamide?
3-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]-N-ethylpropanamide has a molecular weight of 301.39 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]-N-ethylpropanamide is sourced from PubChem (CID 665747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).