N-methyl-2-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]acetamide

C13H15N3O2S — CID 38638993

IUPACN-methyl-2-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]acetamide
SMILESCNC(=O)CSCc1nc(-c2ccccc2C)no1
InChIInChI=1S/C13H15N3O2S/c1-9-5-3-4-6-10(9)13-15-12(18-16-13)8-19-7-11(17)14-2/h3-6H,7-8H2,1-2H3,(H,14,17)
InChIKeyFBJVJILMHDYYGI-UHFFFAOYSA-N
MW277.35 g/mol
LogP2.02
Rot. Bonds5

About N-methyl-2-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]acetamide

N-methyl-2-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]acetamide (PubChem CID 38638993) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is N-methyl-2-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-methyl-2-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]acetamide
PubChem CID38638993
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC NameN-methyl-2-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]acetamide
SMILESCNC(=O)CSCc1nc(-c2ccccc2C)no1
InChIInChI=1S/C13H15N3O2S/c1-9-5-3-4-6-10(9)13-15-12(18-16-13)8-19-7-11(17)14-2/h3-6H,7-8H2,1-2H3,(H,14,17)
InChIKeyFBJVJILMHDYYGI-UHFFFAOYSA-N
XLogP2.02
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-methyl-2-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]acetamide 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 N-methyl-2-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]acetamide?
The IUPAC name of N-methyl-2-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]acetamide (CID 38638993) is N-methyl-2-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]acetamide.
What is the SMILES notation for N-methyl-2-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]acetamide?
The canonical SMILES for N-methyl-2-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]acetamide is CNC(=O)CSCc1nc(-c2ccccc2C)no1.
What is the InChIKey of N-methyl-2-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]acetamide?
The InChIKey is FBJVJILMHDYYGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c1-9-5-3-4-6-10(9)13-15-12(18-16-13)8-19-7-11(17)14-2/h3-6H,7-8H2,1-2H3,(H,14,17).
What are the key properties of N-methyl-2-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]acetamide?
N-methyl-2-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]acetamide has a molecular weight of 277.35 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]acetamide is sourced from PubChem (CID 38638993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).