5-[(2,5-dimethylpyrrolidin-1-yl)methyl]-3-pyridin-2-yl-1,2,4-oxadiazole

C14H18N4O — CID 136514386

IUPAC5-[(2,5-dimethylpyrrolidin-1-yl)methyl]-3-pyridin-2-yl-1,2,4-oxadiazole
SMILESCC1CCC(C)N1Cc1nc(-c2ccccn2)no1
InChIInChI=1S/C14H18N4O/c1-10-6-7-11(2)18(10)9-13-16-14(17-19-13)12-5-3-4-8-15-12/h3-5,8,10-11H,6-7,9H2,1-2H3
InChIKeyDLSDSMNEWMZERD-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.50
Rot. Bonds3

About 5-[(2,5-dimethylpyrrolidin-1-yl)methyl]-3-pyridin-2-yl-1,2,4-oxadiazole

5-[(2,5-dimethylpyrrolidin-1-yl)methyl]-3-pyridin-2-yl-1,2,4-oxadiazole (PubChem CID 136514386) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 5-[(2,5-dimethylpyrrolidin-1-yl)methyl]-3-pyridin-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(2,5-dimethylpyrrolidin-1-yl)methyl]-3-pyridin-2-yl-1,2,4-oxadiazole
PubChem CID136514386
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name5-[(2,5-dimethylpyrrolidin-1-yl)methyl]-3-pyridin-2-yl-1,2,4-oxadiazole
SMILESCC1CCC(C)N1Cc1nc(-c2ccccn2)no1
InChIInChI=1S/C14H18N4O/c1-10-6-7-11(2)18(10)9-13-16-14(17-19-13)12-5-3-4-8-15-12/h3-5,8,10-11H,6-7,9H2,1-2H3
InChIKeyDLSDSMNEWMZERD-UHFFFAOYSA-N
XLogP2.50
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-[(2,5-dimethylpyrrolidin-1-yl)methyl]-3-pyridin-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-[(2,5-dimethylpyrrolidin-1-yl)methyl]-3-pyridin-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[(2,5-dimethylpyrrolidin-1-yl)methyl]-3-pyridin-2-yl-1,2,4-oxadiazole (CID 136514386) is 5-[(2,5-dimethylpyrrolidin-1-yl)methyl]-3-pyridin-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(2,5-dimethylpyrrolidin-1-yl)methyl]-3-pyridin-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[(2,5-dimethylpyrrolidin-1-yl)methyl]-3-pyridin-2-yl-1,2,4-oxadiazole is CC1CCC(C)N1Cc1nc(-c2ccccn2)no1.
What is the InChIKey of 5-[(2,5-dimethylpyrrolidin-1-yl)methyl]-3-pyridin-2-yl-1,2,4-oxadiazole?
The InChIKey is DLSDSMNEWMZERD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-10-6-7-11(2)18(10)9-13-16-14(17-19-13)12-5-3-4-8-15-12/h3-5,8,10-11H,6-7,9H2,1-2H3.
What are the key properties of 5-[(2,5-dimethylpyrrolidin-1-yl)methyl]-3-pyridin-2-yl-1,2,4-oxadiazole?
5-[(2,5-dimethylpyrrolidin-1-yl)methyl]-3-pyridin-2-yl-1,2,4-oxadiazole has a molecular weight of 258.32 g/mol, XLogP of 2.50, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,5-dimethylpyrrolidin-1-yl)methyl]-3-pyridin-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 136514386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).