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

C11H18N4O — CID 115077005

IUPAC5-(1-methylpyrrolidin-3-yl)-3-pyrrolidin-3-yl-1,2,4-oxadiazole
SMILESCN1CCC(c2nc(C3CCNC3)no2)C1
InChIInChI=1S/C11H18N4O/c1-15-5-3-9(7-15)11-13-10(14-16-11)8-2-4-12-6-8/h8-9,12H,2-7H2,1H3
InChIKeyDWLJYPCFRIMQJQ-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.57
Rot. Bonds2

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

5-(1-methylpyrrolidin-3-yl)-3-pyrrolidin-3-yl-1,2,4-oxadiazole (PubChem CID 115077005) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 5-(1-methylpyrrolidin-3-yl)-3-pyrrolidin-3-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(1-methylpyrrolidin-3-yl)-3-pyrrolidin-3-yl-1,2,4-oxadiazole
PubChem CID115077005
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name5-(1-methylpyrrolidin-3-yl)-3-pyrrolidin-3-yl-1,2,4-oxadiazole
SMILESCN1CCC(c2nc(C3CCNC3)no2)C1
InChIInChI=1S/C11H18N4O/c1-15-5-3-9(7-15)11-13-10(14-16-11)8-2-4-12-6-8/h8-9,12H,2-7H2,1H3
InChIKeyDWLJYPCFRIMQJQ-UHFFFAOYSA-N
XLogP0.57
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(1-methylpyrrolidin-3-yl)-3-pyrrolidin-3-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-(1-methylpiperidin-3-yl)-3-piperidin-3-yl-1,2,4-oxadiazole
CID 115077691
5-(1-methylpyrrolidin-2-yl)-3-pyrrolidin-3-yl-1,2,4-oxadiazole
CID 115077864
3-piperidin-3-yl-5-(1-propan-2-ylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 115076999
3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-5-pyrrolidin-3-yl-1,2,4-oxadiazole
CID 112680492
4-methyl-2-(5-piperidin-3-yl-1,2,4-oxadiazol-3-yl)morpholine
CID 79077245
4-ethyl-2-(5-pyrrolidin-3-yl-1,2,4-oxadiazol-3-yl)morpholine
CID 79666239
5-(1-ethylpiperidin-2-yl)-3-pyrrolidin-3-yl-1,2,4-oxadiazole
CID 115078020
3-(4,4-dimethylcyclohexyl)-5-pyrrolidin-3-yl-1,2,4-oxadiazole
CID 65390962
3,5-di(piperidin-3-yl)-1,2,4-oxadiazole
CID 115077690
3-methyl-5-[(3R)-1-methylpyrrolidin-3-yl]-1,2,4-oxadiazole
CID 92845934
3-(1-methylpyrrolidin-3-yl)-1,2,4-oxadiazol-5-amine
CID 115079643
5-cyclopropyl-3-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole
CID 94939518

Frequently Asked Questions

What is the IUPAC name of 5-(1-methylpyrrolidin-3-yl)-3-pyrrolidin-3-yl-1,2,4-oxadiazole?
The IUPAC name of 5-(1-methylpyrrolidin-3-yl)-3-pyrrolidin-3-yl-1,2,4-oxadiazole (CID 115077005) is 5-(1-methylpyrrolidin-3-yl)-3-pyrrolidin-3-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(1-methylpyrrolidin-3-yl)-3-pyrrolidin-3-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-(1-methylpyrrolidin-3-yl)-3-pyrrolidin-3-yl-1,2,4-oxadiazole is CN1CCC(c2nc(C3CCNC3)no2)C1.
What is the InChIKey of 5-(1-methylpyrrolidin-3-yl)-3-pyrrolidin-3-yl-1,2,4-oxadiazole?
The InChIKey is DWLJYPCFRIMQJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-15-5-3-9(7-15)11-13-10(14-16-11)8-2-4-12-6-8/h8-9,12H,2-7H2,1H3.
What are the key properties of 5-(1-methylpyrrolidin-3-yl)-3-pyrrolidin-3-yl-1,2,4-oxadiazole?
5-(1-methylpyrrolidin-3-yl)-3-pyrrolidin-3-yl-1,2,4-oxadiazole has a molecular weight of 222.29 g/mol, XLogP of 0.57, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methylpyrrolidin-3-yl)-3-pyrrolidin-3-yl-1,2,4-oxadiazole is sourced from PubChem (CID 115077005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).