3-[2-(3-methylphenoxy)ethyl]-5-pyrrolidin-3-yl-1,2,4-oxadiazole

C15H19N3O2 — CID 86820531

IUPAC3-[2-(3-methylphenoxy)ethyl]-5-pyrrolidin-3-yl-1,2,4-oxadiazole
SMILESCc1cccc(OCCc2noc(C3CCNC3)n2)c1
InChIInChI=1S/C15H19N3O2/c1-11-3-2-4-13(9-11)19-8-6-14-17-15(20-18-14)12-5-7-16-10-12/h2-4,9,12,16H,5-8,10H2,1H3
InChIKeyMYUSHKQOZFVOQH-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.08
Rot. Bonds5

About 3-[2-(3-methylphenoxy)ethyl]-5-pyrrolidin-3-yl-1,2,4-oxadiazole

3-[2-(3-methylphenoxy)ethyl]-5-pyrrolidin-3-yl-1,2,4-oxadiazole (PubChem CID 86820531) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 3-[2-(3-methylphenoxy)ethyl]-5-pyrrolidin-3-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[2-(3-methylphenoxy)ethyl]-5-pyrrolidin-3-yl-1,2,4-oxadiazole
PubChem CID86820531
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name3-[2-(3-methylphenoxy)ethyl]-5-pyrrolidin-3-yl-1,2,4-oxadiazole
SMILESCc1cccc(OCCc2noc(C3CCNC3)n2)c1
InChIInChI=1S/C15H19N3O2/c1-11-3-2-4-13(9-11)19-8-6-14-17-15(20-18-14)12-5-7-16-10-12/h2-4,9,12,16H,5-8,10H2,1H3
InChIKeyMYUSHKQOZFVOQH-UHFFFAOYSA-N
XLogP2.08
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[2-(3-methylphenoxy)ethyl]-5-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

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-methylphenoxy)ethyl]-5-pyrrolidin-3-yl-1,2,4-oxadiazole?
The IUPAC name of 3-[2-(3-methylphenoxy)ethyl]-5-pyrrolidin-3-yl-1,2,4-oxadiazole (CID 86820531) is 3-[2-(3-methylphenoxy)ethyl]-5-pyrrolidin-3-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[2-(3-methylphenoxy)ethyl]-5-pyrrolidin-3-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-[2-(3-methylphenoxy)ethyl]-5-pyrrolidin-3-yl-1,2,4-oxadiazole is Cc1cccc(OCCc2noc(C3CCNC3)n2)c1.
What is the InChIKey of 3-[2-(3-methylphenoxy)ethyl]-5-pyrrolidin-3-yl-1,2,4-oxadiazole?
The InChIKey is MYUSHKQOZFVOQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-11-3-2-4-13(9-11)19-8-6-14-17-15(20-18-14)12-5-7-16-10-12/h2-4,9,12,16H,5-8,10H2,1H3.
What are the key properties of 3-[2-(3-methylphenoxy)ethyl]-5-pyrrolidin-3-yl-1,2,4-oxadiazole?
3-[2-(3-methylphenoxy)ethyl]-5-pyrrolidin-3-yl-1,2,4-oxadiazole has a molecular weight of 273.34 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-methylphenoxy)ethyl]-5-pyrrolidin-3-yl-1,2,4-oxadiazole is sourced from PubChem (CID 86820531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).