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

C15H19N3O2 — CID 666941

IUPAC3-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
SMILESCC(C)(C)c1ccc(-c2noc(CCC(N)=O)n2)cc1
InChIInChI=1S/C15H19N3O2/c1-15(2,3)11-6-4-10(5-7-11)14-17-13(20-18-14)9-8-12(16)19/h4-7H,8-9H2,1-3H3,(H2,16,19)
InChIKeyUOLYGIMYNWWJPJ-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.45
Rot. Bonds4

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

3-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]propanamide (PubChem CID 666941) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 3-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]propanamide.

Molecular Properties

Compound Name3-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
PubChem CID666941
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name3-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
SMILESCC(C)(C)c1ccc(-c2noc(CCC(N)=O)n2)cc1
InChIInChI=1S/C15H19N3O2/c1-15(2,3)11-6-4-10(5-7-11)14-17-13(20-18-14)9-8-12(16)19/h4-7H,8-9H2,1-3H3,(H2,16,19)
InChIKeyUOLYGIMYNWWJPJ-UHFFFAOYSA-N
XLogP2.45
TPSA82.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-Phenyl-1,2,4-oxadiazol-5-yl)propionic acid
CID 665968
Phenylmethyloxadiazole
CID 98806
Sodium perchlorate hydrate
CID 270750
N-cyclopentyl-3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 1945989
4-(3-Phenyl-1,2,4-oxadiazol-5-yl)butanamide
CID 1966104
(3R)-6-cyclohexyl-N-hydroxy-3-(3-phenyl-1,2,4-oxadiazol-5-yl)hexanamide
CID 16748676
1-[3-(4-Dodecylphenyl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboximidamide;hydrochloride
CID 60149004
1-[3-(4-Undecylphenyl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboximidamide;hydrochloride
CID 89741310
1-[3-(4-Decylphenyl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboximidamide;hydrochloride
CID 118255060
N-(2-methylpropyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 2002505
3-Phenyl-5-(propan-2-yl)-1,2,4-oxadiazole
CID 12710734
2-(3-(4-Methylphenyl)-1,2,4-oxadiazol-5-yl)acetonitrile
CID 3858087

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The IUPAC name of 3-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]propanamide (CID 666941) is 3-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]propanamide.
What is the SMILES notation for 3-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The canonical SMILES for 3-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]propanamide is CC(C)(C)c1ccc(-c2noc(CCC(N)=O)n2)cc1.
What is the InChIKey of 3-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The InChIKey is UOLYGIMYNWWJPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-15(2,3)11-6-4-10(5-7-11)14-17-13(20-18-14)9-8-12(16)19/h4-7H,8-9H2,1-3H3,(H2,16,19).
What are the key properties of 3-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
3-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]propanamide has a molecular weight of 273.34 g/mol, XLogP of 2.45, 4 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]propanamide is sourced from PubChem (CID 666941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).