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

C12H18N2O3 — CID 145111344

IUPAC2-cyclobutyl-5-[1-(oxetan-3-ylmethoxy)ethyl]-1,3,4-oxadiazole
SMILESCC(OCC1COC1)c1nnc(C2CCC2)o1
InChIInChI=1S/C12H18N2O3/c1-8(16-7-9-5-15-6-9)11-13-14-12(17-11)10-3-2-4-10/h8-10H,2-7H2,1H3
InChIKeyJHEJSSWZPCZJCY-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.06
Rot. Bonds5

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

2-cyclobutyl-5-[1-(oxetan-3-ylmethoxy)ethyl]-1,3,4-oxadiazole (PubChem CID 145111344) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-cyclobutyl-5-[1-(oxetan-3-ylmethoxy)ethyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-cyclobutyl-5-[1-(oxetan-3-ylmethoxy)ethyl]-1,3,4-oxadiazole
PubChem CID145111344
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name2-cyclobutyl-5-[1-(oxetan-3-ylmethoxy)ethyl]-1,3,4-oxadiazole
SMILESCC(OCC1COC1)c1nnc(C2CCC2)o1
InChIInChI=1S/C12H18N2O3/c1-8(16-7-9-5-15-6-9)11-13-14-12(17-11)10-3-2-4-10/h8-10H,2-7H2,1H3
InChIKeyJHEJSSWZPCZJCY-UHFFFAOYSA-N
XLogP2.06
TPSA57.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-5-[1-(oxetan-3-ylmethoxy)ethyl]-1,3,4-oxadiazole?
The IUPAC name of 2-cyclobutyl-5-[1-(oxetan-3-ylmethoxy)ethyl]-1,3,4-oxadiazole (CID 145111344) is 2-cyclobutyl-5-[1-(oxetan-3-ylmethoxy)ethyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-cyclobutyl-5-[1-(oxetan-3-ylmethoxy)ethyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-cyclobutyl-5-[1-(oxetan-3-ylmethoxy)ethyl]-1,3,4-oxadiazole is CC(OCC1COC1)c1nnc(C2CCC2)o1.
What is the InChIKey of 2-cyclobutyl-5-[1-(oxetan-3-ylmethoxy)ethyl]-1,3,4-oxadiazole?
The InChIKey is JHEJSSWZPCZJCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-8(16-7-9-5-15-6-9)11-13-14-12(17-11)10-3-2-4-10/h8-10H,2-7H2,1H3.
What are the key properties of 2-cyclobutyl-5-[1-(oxetan-3-ylmethoxy)ethyl]-1,3,4-oxadiazole?
2-cyclobutyl-5-[1-(oxetan-3-ylmethoxy)ethyl]-1,3,4-oxadiazole has a molecular weight of 238.29 g/mol, XLogP of 2.06, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-5-[1-(oxetan-3-ylmethoxy)ethyl]-1,3,4-oxadiazole is sourced from PubChem (CID 145111344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).