3-(3,4-dimethoxyphenyl)-N-(3-methylsulfanylphenyl)-1,2,4-oxadiazol-5-amine

C17H17N3O3S — CID 20912166

IUPAC3-(3,4-dimethoxyphenyl)-N-(3-methylsulfanylphenyl)-1,2,4-oxadiazol-5-amine
SMILESCOc1ccc(-c2noc(Nc3cccc(SC)c3)n2)cc1OC
InChIInChI=1S/C17H17N3O3S/c1-21-14-8-7-11(9-15(14)22-2)16-19-17(23-20-16)18-12-5-4-6-13(10-12)24-3/h4-10H,1-3H3,(H,18,19,20)
InChIKeyGYLNVNWWLMRZIJ-UHFFFAOYSA-N
MW343.41 g/mol
LogP4.22
Rot. Bonds6

About 3-(3,4-dimethoxyphenyl)-N-(3-methylsulfanylphenyl)-1,2,4-oxadiazol-5-amine

3-(3,4-dimethoxyphenyl)-N-(3-methylsulfanylphenyl)-1,2,4-oxadiazol-5-amine (PubChem CID 20912166) has the molecular formula C17H17N3O3S and a molecular weight of 343.41 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-N-(3-methylsulfanylphenyl)-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-N-(3-methylsulfanylphenyl)-1,2,4-oxadiazol-5-amine
PubChem CID20912166
Molecular FormulaC17H17N3O3S
Molecular Weight343.41 g/mol
Exact Mass343.10
IUPAC Name3-(3,4-dimethoxyphenyl)-N-(3-methylsulfanylphenyl)-1,2,4-oxadiazol-5-amine
SMILESCOc1ccc(-c2noc(Nc3cccc(SC)c3)n2)cc1OC
InChIInChI=1S/C17H17N3O3S/c1-21-14-8-7-11(9-15(14)22-2)16-19-17(23-20-16)18-12-5-4-6-13(10-12)24-3/h4-10H,1-3H3,(H,18,19,20)
InChIKeyGYLNVNWWLMRZIJ-UHFFFAOYSA-N
XLogP4.22
TPSA69.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-(3,4-dimethoxyphenyl)-N-(3-methylsulfanylphenyl)-1,2,4-oxadiazol-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3-methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-amine
CID 20952768
1-[3-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]amino]phenyl]ethanone
CID 20952694
N-(3,5-dimethylphenyl)-3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-amine
CID 71686712
5-[(Z)-1-chloro-2-(4-methylsulfanylphenyl)ethenyl]-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole
CID 9034334
3-(3,4-dimethoxyphenyl)-N-[(4-ethylphenyl)methyl]-1,2,4-oxadiazol-5-amine
CID 46342168
3-(3,4-dimethoxyphenyl)-5-(4-phenylphenyl)-1,2,4-oxadiazole
CID 8895210
3-(2,5-dimethoxyphenyl)-N-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-amine
CID 20910060
ethyl 3-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]amino]benzoate
CID 20881472
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-amine
CID 53299062
3-(3,4-dimethoxyphenyl)-N-(3-ethoxypropyl)-1,2,4-oxadiazol-5-amine
CID 46276315
N-(3,4-dimethoxyphenyl)-5-(3-methylsulfanylphenyl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine
CID 71138170
3-(3,4-dimethoxyphenyl)-5-(2-phenylethenyl)-1,2,4-oxadiazole
CID 2994581

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-N-(3-methylsulfanylphenyl)-1,2,4-oxadiazol-5-amine?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-N-(3-methylsulfanylphenyl)-1,2,4-oxadiazol-5-amine (CID 20912166) is 3-(3,4-dimethoxyphenyl)-N-(3-methylsulfanylphenyl)-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-N-(3-methylsulfanylphenyl)-1,2,4-oxadiazol-5-amine?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-N-(3-methylsulfanylphenyl)-1,2,4-oxadiazol-5-amine is COc1ccc(-c2noc(Nc3cccc(SC)c3)n2)cc1OC.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-N-(3-methylsulfanylphenyl)-1,2,4-oxadiazol-5-amine?
The InChIKey is GYLNVNWWLMRZIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3S/c1-21-14-8-7-11(9-15(14)22-2)16-19-17(23-20-16)18-12-5-4-6-13(10-12)24-3/h4-10H,1-3H3,(H,18,19,20).
What are the key properties of 3-(3,4-dimethoxyphenyl)-N-(3-methylsulfanylphenyl)-1,2,4-oxadiazol-5-amine?
3-(3,4-dimethoxyphenyl)-N-(3-methylsulfanylphenyl)-1,2,4-oxadiazol-5-amine has a molecular weight of 343.41 g/mol, XLogP of 4.22, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-N-(3-methylsulfanylphenyl)-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 20912166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).