2-(2,3-dihydro-1-benzofuran-5-yl)-5-[(4-methoxyphenyl)methylsulfanyl]-1,3,4-oxadiazole

C18H16N2O3S — CID 44590238

IUPAC2-(2,3-dihydro-1-benzofuran-5-yl)-5-[(4-methoxyphenyl)methylsulfanyl]-1,3,4-oxadiazole
SMILESCOc1ccc(CSc2nnc(-c3ccc4c(c3)CCO4)o2)cc1
InChIInChI=1S/C18H16N2O3S/c1-21-15-5-2-12(3-6-15)11-24-18-20-19-17(23-18)14-4-7-16-13(10-14)8-9-22-16/h2-7,10H,8-9,11H2,1H3
InChIKeyKDBVFKKUBSCXLU-UHFFFAOYSA-N
MW340.40 g/mol
LogP3.97
Rot. Bonds5

About 2-(2,3-dihydro-1-benzofuran-5-yl)-5-[(4-methoxyphenyl)methylsulfanyl]-1,3,4-oxadiazole

2-(2,3-dihydro-1-benzofuran-5-yl)-5-[(4-methoxyphenyl)methylsulfanyl]-1,3,4-oxadiazole (PubChem CID 44590238) has the molecular formula C18H16N2O3S and a molecular weight of 340.40 g/mol. Its IUPAC name is 2-(2,3-dihydro-1-benzofuran-5-yl)-5-[(4-methoxyphenyl)methylsulfanyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(2,3-dihydro-1-benzofuran-5-yl)-5-[(4-methoxyphenyl)methylsulfanyl]-1,3,4-oxadiazole
PubChem CID44590238
Molecular FormulaC18H16N2O3S
Molecular Weight340.40 g/mol
Exact Mass340.09
IUPAC Name2-(2,3-dihydro-1-benzofuran-5-yl)-5-[(4-methoxyphenyl)methylsulfanyl]-1,3,4-oxadiazole
SMILESCOc1ccc(CSc2nnc(-c3ccc4c(c3)CCO4)o2)cc1
InChIInChI=1S/C18H16N2O3S/c1-21-15-5-2-12(3-6-15)11-24-18-20-19-17(23-18)14-4-7-16-13(10-14)8-9-22-16/h2-7,10H,8-9,11H2,1H3
InChIKeyKDBVFKKUBSCXLU-UHFFFAOYSA-N
XLogP3.97
TPSA57.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(2,3-dihydro-1-benzofuran-5-yl)-5-[(4-methoxyphenyl)methylsulfanyl]-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-(2,3-dihydro-1-benzofuran-5-yl)-5-[(4-methoxyphenyl)methylsulfanyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(2,3-dihydro-1-benzofuran-5-yl)-5-[(4-methoxyphenyl)methylsulfanyl]-1,3,4-oxadiazole (CID 44590238) is 2-(2,3-dihydro-1-benzofuran-5-yl)-5-[(4-methoxyphenyl)methylsulfanyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(2,3-dihydro-1-benzofuran-5-yl)-5-[(4-methoxyphenyl)methylsulfanyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(2,3-dihydro-1-benzofuran-5-yl)-5-[(4-methoxyphenyl)methylsulfanyl]-1,3,4-oxadiazole is COc1ccc(CSc2nnc(-c3ccc4c(c3)CCO4)o2)cc1.
What is the InChIKey of 2-(2,3-dihydro-1-benzofuran-5-yl)-5-[(4-methoxyphenyl)methylsulfanyl]-1,3,4-oxadiazole?
The InChIKey is KDBVFKKUBSCXLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3S/c1-21-15-5-2-12(3-6-15)11-24-18-20-19-17(23-18)14-4-7-16-13(10-14)8-9-22-16/h2-7,10H,8-9,11H2,1H3.
What are the key properties of 2-(2,3-dihydro-1-benzofuran-5-yl)-5-[(4-methoxyphenyl)methylsulfanyl]-1,3,4-oxadiazole?
2-(2,3-dihydro-1-benzofuran-5-yl)-5-[(4-methoxyphenyl)methylsulfanyl]-1,3,4-oxadiazole has a molecular weight of 340.40 g/mol, XLogP of 3.97, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1-benzofuran-5-yl)-5-[(4-methoxyphenyl)methylsulfanyl]-1,3,4-oxadiazole is sourced from PubChem (CID 44590238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).