N-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-2-ethylsulfanylbenzamide

C19H19N3O2S — CID 41375411

IUPACN-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-2-ethylsulfanylbenzamide
SMILESCCSc1ccccc1C(=O)Nc1nnc(-c2ccc(C)c(C)c2)o1
InChIInChI=1S/C19H19N3O2S/c1-4-25-16-8-6-5-7-15(16)17(23)20-19-22-21-18(24-19)14-10-9-12(2)13(3)11-14/h5-11H,4H2,1-3H3,(H,20,22,23)
InChIKeyOVSIFAFWLDMDEQ-UHFFFAOYSA-N
MW353.45 g/mol
LogP4.72
Rot. Bonds5

About N-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-2-ethylsulfanylbenzamide

N-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-2-ethylsulfanylbenzamide (PubChem CID 41375411) has the molecular formula C19H19N3O2S and a molecular weight of 353.45 g/mol. Its IUPAC name is N-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-2-ethylsulfanylbenzamide.

Molecular Properties

Compound NameN-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-2-ethylsulfanylbenzamide
PubChem CID41375411
Molecular FormulaC19H19N3O2S
Molecular Weight353.45 g/mol
Exact Mass353.12
IUPAC NameN-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-2-ethylsulfanylbenzamide
SMILESCCSc1ccccc1C(=O)Nc1nnc(-c2ccc(C)c(C)c2)o1
InChIInChI=1S/C19H19N3O2S/c1-4-25-16-8-6-5-7-15(16)17(23)20-19-22-21-18(24-19)14-10-9-12(2)13(3)11-14/h5-11H,4H2,1-3H3,(H,20,22,23)
InChIKeyOVSIFAFWLDMDEQ-UHFFFAOYSA-N
XLogP4.72
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethylsulfanyl-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 43972468
N-[5-(1,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]-2-ethylsulfanylbenzamide
CID 25283241
N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-ethylsulfanylbenzamide
CID 18576988
N-[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-2-ethylsulfanylbenzamide
CID 40957771
2,5-dichloro-N-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]thiophene-3-carboxamide
CID 16823622
N-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-methylbenzamide
CID 7655700
2-methylsulfanyl-N-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
CID 7565083
N-[5-(4-ethylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-2-methylsulfanylbenzamide
CID 43978062
N-[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]-2-methylsulfanylbenzamide
CID 41178997
N-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-4-fluorobenzamide
CID 7655505
N-[5-(4-ethylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-2-methylbenzamide
CID 43978010
N-[5-(3,4-diethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-methoxybenzamide
CID 43975922

Frequently Asked Questions

What is the IUPAC name of N-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-2-ethylsulfanylbenzamide?
The IUPAC name of N-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-2-ethylsulfanylbenzamide (CID 41375411) is N-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-2-ethylsulfanylbenzamide.
What is the SMILES notation for N-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-2-ethylsulfanylbenzamide?
The canonical SMILES for N-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-2-ethylsulfanylbenzamide is CCSc1ccccc1C(=O)Nc1nnc(-c2ccc(C)c(C)c2)o1.
What is the InChIKey of N-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-2-ethylsulfanylbenzamide?
The InChIKey is OVSIFAFWLDMDEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2S/c1-4-25-16-8-6-5-7-15(16)17(23)20-19-22-21-18(24-19)14-10-9-12(2)13(3)11-14/h5-11H,4H2,1-3H3,(H,20,22,23).
What are the key properties of N-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-2-ethylsulfanylbenzamide?
N-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-2-ethylsulfanylbenzamide has a molecular weight of 353.45 g/mol, XLogP of 4.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-2-ethylsulfanylbenzamide is sourced from PubChem (CID 41375411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).