5-(5-methyl-1-benzofuran-2-yl)-3-(oxolan-3-yl)-1,2,4-oxadiazole

C15H14N2O3 — CID 72914270

IUPAC5-(5-methyl-1-benzofuran-2-yl)-3-(oxolan-3-yl)-1,2,4-oxadiazole
SMILESCc1ccc2oc(-c3nc(C4CCOC4)no3)cc2c1
InChIInChI=1S/C15H14N2O3/c1-9-2-3-12-11(6-9)7-13(19-12)15-16-14(17-20-15)10-4-5-18-8-10/h2-3,6-7,10H,4-5,8H2,1H3
InChIKeyUODFUUXCOJTODK-UHFFFAOYSA-N
MW270.29 g/mol
LogP3.30
Rot. Bonds2

About 5-(5-methyl-1-benzofuran-2-yl)-3-(oxolan-3-yl)-1,2,4-oxadiazole

5-(5-methyl-1-benzofuran-2-yl)-3-(oxolan-3-yl)-1,2,4-oxadiazole (PubChem CID 72914270) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is 5-(5-methyl-1-benzofuran-2-yl)-3-(oxolan-3-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(5-methyl-1-benzofuran-2-yl)-3-(oxolan-3-yl)-1,2,4-oxadiazole
PubChem CID72914270
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC Name5-(5-methyl-1-benzofuran-2-yl)-3-(oxolan-3-yl)-1,2,4-oxadiazole
SMILESCc1ccc2oc(-c3nc(C4CCOC4)no3)cc2c1
InChIInChI=1S/C15H14N2O3/c1-9-2-3-12-11(6-9)7-13(19-12)15-16-14(17-20-15)10-4-5-18-8-10/h2-3,6-7,10H,4-5,8H2,1H3
InChIKeyUODFUUXCOJTODK-UHFFFAOYSA-N
XLogP3.30
TPSA61.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-(5-methyl-1-benzofuran-2-yl)-3-(oxolan-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 5-(5-methyl-1-benzofuran-2-yl)-3-(oxolan-3-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-(5-methyl-1-benzofuran-2-yl)-3-(oxolan-3-yl)-1,2,4-oxadiazole (CID 72914270) is 5-(5-methyl-1-benzofuran-2-yl)-3-(oxolan-3-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(5-methyl-1-benzofuran-2-yl)-3-(oxolan-3-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(5-methyl-1-benzofuran-2-yl)-3-(oxolan-3-yl)-1,2,4-oxadiazole is Cc1ccc2oc(-c3nc(C4CCOC4)no3)cc2c1.
What is the InChIKey of 5-(5-methyl-1-benzofuran-2-yl)-3-(oxolan-3-yl)-1,2,4-oxadiazole?
The InChIKey is UODFUUXCOJTODK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3/c1-9-2-3-12-11(6-9)7-13(19-12)15-16-14(17-20-15)10-4-5-18-8-10/h2-3,6-7,10H,4-5,8H2,1H3.
What are the key properties of 5-(5-methyl-1-benzofuran-2-yl)-3-(oxolan-3-yl)-1,2,4-oxadiazole?
5-(5-methyl-1-benzofuran-2-yl)-3-(oxolan-3-yl)-1,2,4-oxadiazole has a molecular weight of 270.29 g/mol, XLogP of 3.30, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methyl-1-benzofuran-2-yl)-3-(oxolan-3-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 72914270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).