5-(2,3-dihydro-1-benzothiophen-2-yl)-3-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazole

C18H16N2O2S — CID 70928057

IUPAC5-(2,3-dihydro-1-benzothiophen-2-yl)-3-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazole
SMILESCOc1cc(-c2noc(C3Cc4ccccc4S3)n2)ccc1C
InChIInChI=1S/C18H16N2O2S/c1-11-7-8-13(9-14(11)21-2)17-19-18(22-20-17)16-10-12-5-3-4-6-15(12)23-16/h3-9,16H,10H2,1-2H3
InChIKeyVGRKBNFJMKMIEL-UHFFFAOYSA-N
MW324.41 g/mol
LogP4.44
Rot. Bonds3

About 5-(2,3-dihydro-1-benzothiophen-2-yl)-3-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazole

5-(2,3-dihydro-1-benzothiophen-2-yl)-3-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazole (PubChem CID 70928057) has the molecular formula C18H16N2O2S and a molecular weight of 324.41 g/mol. Its IUPAC name is 5-(2,3-dihydro-1-benzothiophen-2-yl)-3-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2,3-dihydro-1-benzothiophen-2-yl)-3-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazole
PubChem CID70928057
Molecular FormulaC18H16N2O2S
Molecular Weight324.41 g/mol
Exact Mass324.09
IUPAC Name5-(2,3-dihydro-1-benzothiophen-2-yl)-3-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazole
SMILESCOc1cc(-c2noc(C3Cc4ccccc4S3)n2)ccc1C
InChIInChI=1S/C18H16N2O2S/c1-11-7-8-13(9-14(11)21-2)17-19-18(22-20-17)16-10-12-5-3-4-6-15(12)23-16/h3-9,16H,10H2,1-2H3
InChIKeyVGRKBNFJMKMIEL-UHFFFAOYSA-N
XLogP4.44
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-(2,3-dihydro-1-benzothiophen-2-yl)-3-(3-methoxy-4-methylphenyl)-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-(2,3-dihydro-1-benzothiophen-2-yl)-3-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(2,3-dihydro-1-benzothiophen-2-yl)-3-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazole (CID 70928057) is 5-(2,3-dihydro-1-benzothiophen-2-yl)-3-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2,3-dihydro-1-benzothiophen-2-yl)-3-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(2,3-dihydro-1-benzothiophen-2-yl)-3-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazole is COc1cc(-c2noc(C3Cc4ccccc4S3)n2)ccc1C.
What is the InChIKey of 5-(2,3-dihydro-1-benzothiophen-2-yl)-3-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazole?
The InChIKey is VGRKBNFJMKMIEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2S/c1-11-7-8-13(9-14(11)21-2)17-19-18(22-20-17)16-10-12-5-3-4-6-15(12)23-16/h3-9,16H,10H2,1-2H3.
What are the key properties of 5-(2,3-dihydro-1-benzothiophen-2-yl)-3-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazole?
5-(2,3-dihydro-1-benzothiophen-2-yl)-3-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazole has a molecular weight of 324.41 g/mol, XLogP of 4.44, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydro-1-benzothiophen-2-yl)-3-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 70928057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).