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

C7H11N3O — CID 62388481

IUPAC5-methyl-3-pyrrolidin-2-yl-1,2,4-oxadiazole
SMILESCc1nc(C2CCCN2)no1
InChIInChI=1S/C7H11N3O/c1-5-9-7(10-11-5)6-3-2-4-8-6/h6,8H,2-4H2,1H3
InChIKeyRFIKUEFSGRDOMQ-UHFFFAOYSA-N
MW153.19 g/mol
LogP0.80
Rot. Bonds1

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

5-methyl-3-pyrrolidin-2-yl-1,2,4-oxadiazole (PubChem CID 62388481) has the molecular formula C7H11N3O and a molecular weight of 153.19 g/mol. Its IUPAC name is 5-methyl-3-pyrrolidin-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-methyl-3-pyrrolidin-2-yl-1,2,4-oxadiazole
PubChem CID62388481
Molecular FormulaC7H11N3O
Molecular Weight153.19 g/mol
Exact Mass153.09
IUPAC Name5-methyl-3-pyrrolidin-2-yl-1,2,4-oxadiazole
SMILESCc1nc(C2CCCN2)no1
InChIInChI=1S/C7H11N3O/c1-5-9-7(10-11-5)6-3-2-4-8-6/h6,8H,2-4H2,1H3
InChIKeyRFIKUEFSGRDOMQ-UHFFFAOYSA-N
XLogP0.80
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.19
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-methyl-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

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-pyrrolidin-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-methyl-3-pyrrolidin-2-yl-1,2,4-oxadiazole (CID 62388481) is 5-methyl-3-pyrrolidin-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-methyl-3-pyrrolidin-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-methyl-3-pyrrolidin-2-yl-1,2,4-oxadiazole is Cc1nc(C2CCCN2)no1.
What is the InChIKey of 5-methyl-3-pyrrolidin-2-yl-1,2,4-oxadiazole?
The InChIKey is RFIKUEFSGRDOMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O/c1-5-9-7(10-11-5)6-3-2-4-8-6/h6,8H,2-4H2,1H3.
What are the key properties of 5-methyl-3-pyrrolidin-2-yl-1,2,4-oxadiazole?
5-methyl-3-pyrrolidin-2-yl-1,2,4-oxadiazole has a molecular weight of 153.19 g/mol, XLogP of 0.80, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-pyrrolidin-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 62388481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).