2-methyl-5-[3-(3-methyl-4-methylsulfinylphenyl)-1-benzofuran-5-yl]-1,3,4-oxadiazole

C19H16N2O3S — CID 68663694

IUPAC2-methyl-5-[3-(3-methyl-4-methylsulfinylphenyl)-1-benzofuran-5-yl]-1,3,4-oxadiazole
SMILESCc1nnc(-c2ccc3occ(-c4ccc(S(C)=O)c(C)c4)c3c2)o1
InChIInChI=1S/C19H16N2O3S/c1-11-8-13(5-7-18(11)25(3)22)16-10-23-17-6-4-14(9-15(16)17)19-21-20-12(2)24-19/h4-10H,1-3H3
InChIKeyCPTLTQSKEDKNKM-UHFFFAOYSA-N
MW352.42 g/mol
LogP4.50
Rot. Bonds3

About 2-methyl-5-[3-(3-methyl-4-methylsulfinylphenyl)-1-benzofuran-5-yl]-1,3,4-oxadiazole

2-methyl-5-[3-(3-methyl-4-methylsulfinylphenyl)-1-benzofuran-5-yl]-1,3,4-oxadiazole (PubChem CID 68663694) has the molecular formula C19H16N2O3S and a molecular weight of 352.42 g/mol. Its IUPAC name is 2-methyl-5-[3-(3-methyl-4-methylsulfinylphenyl)-1-benzofuran-5-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-methyl-5-[3-(3-methyl-4-methylsulfinylphenyl)-1-benzofuran-5-yl]-1,3,4-oxadiazole
PubChem CID68663694
Molecular FormulaC19H16N2O3S
Molecular Weight352.42 g/mol
Exact Mass352.09
IUPAC Name2-methyl-5-[3-(3-methyl-4-methylsulfinylphenyl)-1-benzofuran-5-yl]-1,3,4-oxadiazole
SMILESCc1nnc(-c2ccc3occ(-c4ccc(S(C)=O)c(C)c4)c3c2)o1
InChIInChI=1S/C19H16N2O3S/c1-11-8-13(5-7-18(11)25(3)22)16-10-23-17-6-4-14(9-15(16)17)19-21-20-12(2)24-19/h4-10H,1-3H3
InChIKeyCPTLTQSKEDKNKM-UHFFFAOYSA-N
XLogP4.50
TPSA69.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.42
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-methyl-5-[3-(3-methyl-4-methylsulfinylphenyl)-1-benzofuran-5-yl]-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-methyl-5-[3-(3-methyl-4-methylsulfinylphenyl)-1-benzofuran-5-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-methyl-5-[3-(3-methyl-4-methylsulfinylphenyl)-1-benzofuran-5-yl]-1,3,4-oxadiazole (CID 68663694) is 2-methyl-5-[3-(3-methyl-4-methylsulfinylphenyl)-1-benzofuran-5-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-methyl-5-[3-(3-methyl-4-methylsulfinylphenyl)-1-benzofuran-5-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-methyl-5-[3-(3-methyl-4-methylsulfinylphenyl)-1-benzofuran-5-yl]-1,3,4-oxadiazole is Cc1nnc(-c2ccc3occ(-c4ccc(S(C)=O)c(C)c4)c3c2)o1.
What is the InChIKey of 2-methyl-5-[3-(3-methyl-4-methylsulfinylphenyl)-1-benzofuran-5-yl]-1,3,4-oxadiazole?
The InChIKey is CPTLTQSKEDKNKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O3S/c1-11-8-13(5-7-18(11)25(3)22)16-10-23-17-6-4-14(9-15(16)17)19-21-20-12(2)24-19/h4-10H,1-3H3.
What are the key properties of 2-methyl-5-[3-(3-methyl-4-methylsulfinylphenyl)-1-benzofuran-5-yl]-1,3,4-oxadiazole?
2-methyl-5-[3-(3-methyl-4-methylsulfinylphenyl)-1-benzofuran-5-yl]-1,3,4-oxadiazole has a molecular weight of 352.42 g/mol, XLogP of 4.50, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[3-(3-methyl-4-methylsulfinylphenyl)-1-benzofuran-5-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 68663694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).