5-tert-butyl-3-pyrrolidin-2-yl-1,2,4-oxadiazole

C10H17N3O — CID 63317586

IUPAC5-tert-butyl-3-pyrrolidin-2-yl-1,2,4-oxadiazole
SMILESCC(C)(C)c1nc(C2CCCN2)no1
InChIInChI=1S/C10H17N3O/c1-10(2,3)9-12-8(13-14-9)7-5-4-6-11-7/h7,11H,4-6H2,1-3H3
InChIKeyLOCMWRRGSKDYBV-UHFFFAOYSA-N
MW195.27 g/mol
LogP1.79
Rot. Bonds1

About 5-tert-butyl-3-pyrrolidin-2-yl-1,2,4-oxadiazole

5-tert-butyl-3-pyrrolidin-2-yl-1,2,4-oxadiazole (PubChem CID 63317586) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 5-tert-butyl-3-pyrrolidin-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-tert-butyl-3-pyrrolidin-2-yl-1,2,4-oxadiazole
PubChem CID63317586
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name5-tert-butyl-3-pyrrolidin-2-yl-1,2,4-oxadiazole
SMILESCC(C)(C)c1nc(C2CCCN2)no1
InChIInChI=1S/C10H17N3O/c1-10(2,3)9-12-8(13-14-9)7-5-4-6-11-7/h7,11H,4-6H2,1-3H3
InChIKeyLOCMWRRGSKDYBV-UHFFFAOYSA-N
XLogP1.79
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-tert-butyl-3-pyrrolidin-2-yl-1,2,4-oxadiazole 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

5-(2-methylbutan-2-yl)-3-piperidin-2-yl-1,2,4-oxadiazole
CID 62677702
5-(2-phenylpropan-2-yl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole
CID 63317311
5-methyl-3-piperidin-2-yl-1,2,4-oxadiazole;dihydrochloride
CID 54592757
3-pyrrolidin-2-yl-5-(2,4,4-trimethylpentyl)-1,2,4-oxadiazole
CID 55205851
5-cyclodecyl-3-pyrrolidin-2-yl-1,2,4-oxadiazole
CID 123446995
N-methyl-1-(3-pyrrolidin-2-yl-1,2,4-oxadiazol-5-yl)ethanamine
CID 115081093
5-butan-2-yl-3-pyrrolidin-2-yl-1,2,4-oxadiazole
CID 63317308
5-(4-tert-butylthiadiazol-5-yl)-3-piperidin-2-yl-1,2,4-oxadiazole
CID 65207262
5-(1-ethylpyrrolidin-2-yl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole
CID 115077870
5-nonyl-3-pyrrolidin-2-yl-1,2,4-oxadiazole
CID 65427943
3-pyrrolidin-2-yl-5-(2,4,5-trimethylfuran-3-yl)-1,2,4-oxadiazole
CID 65152589
3-(azetidin-3-yl)-5-tert-butyl-1,2,4-oxadiazole;hydrochloride
CID 130652504

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-3-pyrrolidin-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-tert-butyl-3-pyrrolidin-2-yl-1,2,4-oxadiazole (CID 63317586) is 5-tert-butyl-3-pyrrolidin-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-tert-butyl-3-pyrrolidin-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-tert-butyl-3-pyrrolidin-2-yl-1,2,4-oxadiazole is CC(C)(C)c1nc(C2CCCN2)no1.
What is the InChIKey of 5-tert-butyl-3-pyrrolidin-2-yl-1,2,4-oxadiazole?
The InChIKey is LOCMWRRGSKDYBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-10(2,3)9-12-8(13-14-9)7-5-4-6-11-7/h7,11H,4-6H2,1-3H3.
What are the key properties of 5-tert-butyl-3-pyrrolidin-2-yl-1,2,4-oxadiazole?
5-tert-butyl-3-pyrrolidin-2-yl-1,2,4-oxadiazole has a molecular weight of 195.27 g/mol, XLogP of 1.79, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-3-pyrrolidin-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 63317586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).