1-[2-methyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]butan-1-one

C12H19N3O2 — CID 118740055

IUPAC1-[2-methyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCCC1(C)c1nc(C)no1
InChIInChI=1S/C12H19N3O2/c1-4-6-10(16)15-8-5-7-12(15,3)11-13-9(2)14-17-11/h4-8H2,1-3H3
InChIKeySOPVNEIOZKIRAB-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.02
Rot. Bonds3

About 1-[2-methyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]butan-1-one

1-[2-methyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]butan-1-one (PubChem CID 118740055) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 1-[2-methyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]butan-1-one.

Molecular Properties

Compound Name1-[2-methyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]butan-1-one
PubChem CID118740055
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name1-[2-methyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCCC1(C)c1nc(C)no1
InChIInChI=1S/C12H19N3O2/c1-4-6-10(16)15-8-5-7-12(15,3)11-13-9(2)14-17-11/h4-8H2,1-3H3
InChIKeySOPVNEIOZKIRAB-UHFFFAOYSA-N
XLogP2.02
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[2-methyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]butan-1-one 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 1-[2-methyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]butan-1-one?
The IUPAC name of 1-[2-methyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]butan-1-one (CID 118740055) is 1-[2-methyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]butan-1-one.
What is the SMILES notation for 1-[2-methyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]butan-1-one?
The canonical SMILES for 1-[2-methyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]butan-1-one is CCCC(=O)N1CCCC1(C)c1nc(C)no1.
What is the InChIKey of 1-[2-methyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]butan-1-one?
The InChIKey is SOPVNEIOZKIRAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-4-6-10(16)15-8-5-7-12(15,3)11-13-9(2)14-17-11/h4-8H2,1-3H3.
What are the key properties of 1-[2-methyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]butan-1-one?
1-[2-methyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]butan-1-one has a molecular weight of 237.30 g/mol, XLogP of 2.02, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]butan-1-one is sourced from PubChem (CID 118740055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).