5-butan-2-yl-3-pyrrolidin-2-yl-1,2,4-oxadiazole

C10H17N3O — CID 63317308

IUPAC5-butan-2-yl-3-pyrrolidin-2-yl-1,2,4-oxadiazole
SMILESCCC(C)c1nc(C2CCCN2)no1
InChIInChI=1S/C10H17N3O/c1-3-7(2)10-12-9(13-14-10)8-5-4-6-11-8/h7-8,11H,3-6H2,1-2H3
InChIKeyABQYXJIUWVOXBA-UHFFFAOYSA-N
MW195.27 g/mol
LogP2.01
Rot. Bonds3

About 5-butan-2-yl-3-pyrrolidin-2-yl-1,2,4-oxadiazole

5-butan-2-yl-3-pyrrolidin-2-yl-1,2,4-oxadiazole (PubChem CID 63317308) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 5-butan-2-yl-3-pyrrolidin-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-butan-2-yl-3-pyrrolidin-2-yl-1,2,4-oxadiazole
PubChem CID63317308
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name5-butan-2-yl-3-pyrrolidin-2-yl-1,2,4-oxadiazole
SMILESCCC(C)c1nc(C2CCCN2)no1
InChIInChI=1S/C10H17N3O/c1-3-7(2)10-12-9(13-14-10)8-5-4-6-11-8/h7-8,11H,3-6H2,1-2H3
InChIKeyABQYXJIUWVOXBA-UHFFFAOYSA-N
XLogP2.01
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-pentan-3-yl-3-piperidin-2-yl-1,2,4-oxadiazole
CID 60916536
N-methyl-1-(3-pyrrolidin-2-yl-1,2,4-oxadiazol-5-yl)ethanamine
CID 115081093
5-butan-2-yl-3-piperidin-4-yl-1,2,4-oxadiazole
CID 63014682
3-(azepan-2-yl)-5-(1-phenylpropyl)-1,2,4-oxadiazole
CID 104541145
3-(azepan-2-yl)-5-(2-methylpropyl)-1,2,4-oxadiazole
CID 84688673
5-tert-butyl-3-pyrrolidin-2-yl-1,2,4-oxadiazole
CID 63317586
3-pyrrolidin-2-yl-5-(2,4,4-trimethylpentyl)-1,2,4-oxadiazole
CID 55205851
5-nonyl-3-pyrrolidin-2-yl-1,2,4-oxadiazole
CID 65427943
5-methyl-3-piperidin-2-yl-1,2,4-oxadiazole;dihydrochloride
CID 54592757
5-(2-methylbutan-2-yl)-3-piperidin-2-yl-1,2,4-oxadiazole
CID 62677702
5-(1-ethylpyrrolidin-2-yl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole
CID 115077870
5-cyclodecyl-3-pyrrolidin-2-yl-1,2,4-oxadiazole
CID 123446995

Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-3-pyrrolidin-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-butan-2-yl-3-pyrrolidin-2-yl-1,2,4-oxadiazole (CID 63317308) is 5-butan-2-yl-3-pyrrolidin-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-butan-2-yl-3-pyrrolidin-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-butan-2-yl-3-pyrrolidin-2-yl-1,2,4-oxadiazole is CCC(C)c1nc(C2CCCN2)no1.
What is the InChIKey of 5-butan-2-yl-3-pyrrolidin-2-yl-1,2,4-oxadiazole?
The InChIKey is ABQYXJIUWVOXBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-3-7(2)10-12-9(13-14-10)8-5-4-6-11-8/h7-8,11H,3-6H2,1-2H3.
What are the key properties of 5-butan-2-yl-3-pyrrolidin-2-yl-1,2,4-oxadiazole?
5-butan-2-yl-3-pyrrolidin-2-yl-1,2,4-oxadiazole has a molecular weight of 195.27 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-3-pyrrolidin-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 63317308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).