2-(2-methylpropyl)-5-pyrrolidin-3-yl-1,3,4-oxadiazole

C10H17N3O — CID 58408464

IUPAC2-(2-methylpropyl)-5-pyrrolidin-3-yl-1,3,4-oxadiazole
SMILESCC(C)Cc1nnc(C2CCNC2)o1
InChIInChI=1S/C10H17N3O/c1-7(2)5-9-12-13-10(14-9)8-3-4-11-6-8/h7-8,11H,3-6H2,1-2H3
InChIKeyAUGKMFXIYJZRME-UHFFFAOYSA-N
MW195.27 g/mol
LogP1.35
Rot. Bonds3

About 2-(2-methylpropyl)-5-pyrrolidin-3-yl-1,3,4-oxadiazole

2-(2-methylpropyl)-5-pyrrolidin-3-yl-1,3,4-oxadiazole (PubChem CID 58408464) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 2-(2-methylpropyl)-5-pyrrolidin-3-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(2-methylpropyl)-5-pyrrolidin-3-yl-1,3,4-oxadiazole
PubChem CID58408464
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name2-(2-methylpropyl)-5-pyrrolidin-3-yl-1,3,4-oxadiazole
SMILESCC(C)Cc1nnc(C2CCNC2)o1
InChIInChI=1S/C10H17N3O/c1-7(2)5-9-12-13-10(14-9)8-3-4-11-6-8/h7-8,11H,3-6H2,1-2H3
InChIKeyAUGKMFXIYJZRME-UHFFFAOYSA-N
XLogP1.35
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 ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropyl)-5-pyrrolidin-3-yl-1,3,4-oxadiazole?
The IUPAC name of 2-(2-methylpropyl)-5-pyrrolidin-3-yl-1,3,4-oxadiazole (CID 58408464) is 2-(2-methylpropyl)-5-pyrrolidin-3-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-(2-methylpropyl)-5-pyrrolidin-3-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-(2-methylpropyl)-5-pyrrolidin-3-yl-1,3,4-oxadiazole is CC(C)Cc1nnc(C2CCNC2)o1.
What is the InChIKey of 2-(2-methylpropyl)-5-pyrrolidin-3-yl-1,3,4-oxadiazole?
The InChIKey is AUGKMFXIYJZRME-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-7(2)5-9-12-13-10(14-9)8-3-4-11-6-8/h7-8,11H,3-6H2,1-2H3.
What are the key properties of 2-(2-methylpropyl)-5-pyrrolidin-3-yl-1,3,4-oxadiazole?
2-(2-methylpropyl)-5-pyrrolidin-3-yl-1,3,4-oxadiazole has a molecular weight of 195.27 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)-5-pyrrolidin-3-yl-1,3,4-oxadiazole is sourced from PubChem (CID 58408464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).