2-cyclobutyl-5-[1-(cyclobutylmethoxy)ethyl]-1,3,4-oxadiazole

C13H20N2O2 — CID 145111293

IUPAC2-cyclobutyl-5-[1-(cyclobutylmethoxy)ethyl]-1,3,4-oxadiazole
SMILESCC(OCC1CCC1)c1nnc(C2CCC2)o1
InChIInChI=1S/C13H20N2O2/c1-9(16-8-10-4-2-5-10)12-14-15-13(17-12)11-6-3-7-11/h9-11H,2-8H2,1H3
InChIKeyXJEQOTPKPJDCJN-UHFFFAOYSA-N
MW236.31 g/mol
LogP3.21
Rot. Bonds5

About 2-cyclobutyl-5-[1-(cyclobutylmethoxy)ethyl]-1,3,4-oxadiazole

2-cyclobutyl-5-[1-(cyclobutylmethoxy)ethyl]-1,3,4-oxadiazole (PubChem CID 145111293) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-cyclobutyl-5-[1-(cyclobutylmethoxy)ethyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-cyclobutyl-5-[1-(cyclobutylmethoxy)ethyl]-1,3,4-oxadiazole
PubChem CID145111293
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name2-cyclobutyl-5-[1-(cyclobutylmethoxy)ethyl]-1,3,4-oxadiazole
SMILESCC(OCC1CCC1)c1nnc(C2CCC2)o1
InChIInChI=1S/C13H20N2O2/c1-9(16-8-10-4-2-5-10)12-14-15-13(17-12)11-6-3-7-11/h9-11H,2-8H2,1H3
InChIKeyXJEQOTPKPJDCJN-UHFFFAOYSA-N
XLogP3.21
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-cyclobutyl-5-[1-(cyclobutylmethoxy)ethyl]-1,3,4-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 2-cyclobutyl-5-[1-(cyclobutylmethoxy)ethyl]-1,3,4-oxadiazole?
The IUPAC name of 2-cyclobutyl-5-[1-(cyclobutylmethoxy)ethyl]-1,3,4-oxadiazole (CID 145111293) is 2-cyclobutyl-5-[1-(cyclobutylmethoxy)ethyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-cyclobutyl-5-[1-(cyclobutylmethoxy)ethyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-cyclobutyl-5-[1-(cyclobutylmethoxy)ethyl]-1,3,4-oxadiazole is CC(OCC1CCC1)c1nnc(C2CCC2)o1.
What is the InChIKey of 2-cyclobutyl-5-[1-(cyclobutylmethoxy)ethyl]-1,3,4-oxadiazole?
The InChIKey is XJEQOTPKPJDCJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-9(16-8-10-4-2-5-10)12-14-15-13(17-12)11-6-3-7-11/h9-11H,2-8H2,1H3.
What are the key properties of 2-cyclobutyl-5-[1-(cyclobutylmethoxy)ethyl]-1,3,4-oxadiazole?
2-cyclobutyl-5-[1-(cyclobutylmethoxy)ethyl]-1,3,4-oxadiazole has a molecular weight of 236.31 g/mol, XLogP of 3.21, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-5-[1-(cyclobutylmethoxy)ethyl]-1,3,4-oxadiazole is sourced from PubChem (CID 145111293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).