3-[4-(3-methoxyoxetan-3-yl)phenyl]-1,2,4-oxadiazole

C12H12N2O3 — CID 91393111

IUPAC3-[4-(3-methoxyoxetan-3-yl)phenyl]-1,2,4-oxadiazole
SMILESCOC1(c2ccc(-c3ncon3)cc2)COC1
InChIInChI=1S/C12H12N2O3/c1-15-12(6-16-7-12)10-4-2-9(3-5-10)11-13-8-17-14-11/h2-5,8H,6-7H2,1H3
InChIKeyBTKPXBVPXNZWCB-UHFFFAOYSA-N
MW232.24 g/mol
LogP1.61
Rot. Bonds3

About 3-[4-(3-methoxyoxetan-3-yl)phenyl]-1,2,4-oxadiazole

3-[4-(3-methoxyoxetan-3-yl)phenyl]-1,2,4-oxadiazole (PubChem CID 91393111) has the molecular formula C12H12N2O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is 3-[4-(3-methoxyoxetan-3-yl)phenyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[4-(3-methoxyoxetan-3-yl)phenyl]-1,2,4-oxadiazole
PubChem CID91393111
Molecular FormulaC12H12N2O3
Molecular Weight232.24 g/mol
Exact Mass232.08
IUPAC Name3-[4-(3-methoxyoxetan-3-yl)phenyl]-1,2,4-oxadiazole
SMILESCOC1(c2ccc(-c3ncon3)cc2)COC1
InChIInChI=1S/C12H12N2O3/c1-15-12(6-16-7-12)10-4-2-9(3-5-10)11-13-8-17-14-11/h2-5,8H,6-7H2,1H3
InChIKeyBTKPXBVPXNZWCB-UHFFFAOYSA-N
XLogP1.61
TPSA57.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[4-(3-methoxyoxetan-3-yl)phenyl]-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-[4-(3-methoxyoxetan-3-yl)phenyl]-1,2,4-oxadiazole?
The IUPAC name of 3-[4-(3-methoxyoxetan-3-yl)phenyl]-1,2,4-oxadiazole (CID 91393111) is 3-[4-(3-methoxyoxetan-3-yl)phenyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-[4-(3-methoxyoxetan-3-yl)phenyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-[4-(3-methoxyoxetan-3-yl)phenyl]-1,2,4-oxadiazole is COC1(c2ccc(-c3ncon3)cc2)COC1.
What is the InChIKey of 3-[4-(3-methoxyoxetan-3-yl)phenyl]-1,2,4-oxadiazole?
The InChIKey is BTKPXBVPXNZWCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3/c1-15-12(6-16-7-12)10-4-2-9(3-5-10)11-13-8-17-14-11/h2-5,8H,6-7H2,1H3.
What are the key properties of 3-[4-(3-methoxyoxetan-3-yl)phenyl]-1,2,4-oxadiazole?
3-[4-(3-methoxyoxetan-3-yl)phenyl]-1,2,4-oxadiazole has a molecular weight of 232.24 g/mol, XLogP of 1.61, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-methoxyoxetan-3-yl)phenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 91393111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).