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

C19H19N3O2S — CID 41044404

IUPACN-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-4-ethylsulfanylbenzamide
SMILESCCSc1ccc(C(=O)Nc2nnc(-c3cc(C)ccc3C)o2)cc1
InChIInChI=1S/C19H19N3O2S/c1-4-25-15-9-7-14(8-10-15)17(23)20-19-22-21-18(24-19)16-11-12(2)5-6-13(16)3/h5-11H,4H2,1-3H3,(H,20,22,23)
InChIKeyPXMCUVFCKWFOQS-UHFFFAOYSA-N
MW353.45 g/mol
LogP4.72
Rot. Bonds5

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

N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-4-ethylsulfanylbenzamide (PubChem CID 41044404) has the molecular formula C19H19N3O2S and a molecular weight of 353.45 g/mol. Its IUPAC name is N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-4-ethylsulfanylbenzamide.

Molecular Properties

Compound NameN-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-4-ethylsulfanylbenzamide
PubChem CID41044404
Molecular FormulaC19H19N3O2S
Molecular Weight353.45 g/mol
Exact Mass353.12
IUPAC NameN-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-4-ethylsulfanylbenzamide
SMILESCCSc1ccc(C(=O)Nc2nnc(-c3cc(C)ccc3C)o2)cc1
InChIInChI=1S/C19H19N3O2S/c1-4-25-15-9-7-14(8-10-15)17(23)20-19-22-21-18(24-19)16-11-12(2)5-6-13(16)3/h5-11H,4H2,1-3H3,(H,20,22,23)
InChIKeyPXMCUVFCKWFOQS-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

4-chloro-N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 8608540
N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-3,4-dimethoxybenzamide
CID 7533252
N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-3-fluorobenzamide
CID 7533241
4-ethylsulfanyl-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 43972474
N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-ethylsulfanylbenzamide
CID 43975714
N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-6-carboxamide
CID 7533286
N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-3-phenoxybenzamide
CID 16821846
2-chloro-N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 7244080
4-[cyclopentyl(methyl)sulfamoyl]-N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 18584070
4-[benzyl(propan-2-yl)sulfamoyl]-N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 16810027
N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-1-methylpyrazole-3-carboxamide
CID 45284717
N-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-2,4-dimethylbenzamide
CID 8608535

Frequently Asked Questions

What is the IUPAC name of N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-4-ethylsulfanylbenzamide?
The IUPAC name of N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-4-ethylsulfanylbenzamide (CID 41044404) is N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-4-ethylsulfanylbenzamide.
What is the SMILES notation for N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-4-ethylsulfanylbenzamide?
The canonical SMILES for N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-4-ethylsulfanylbenzamide is CCSc1ccc(C(=O)Nc2nnc(-c3cc(C)ccc3C)o2)cc1.
What is the InChIKey of N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-4-ethylsulfanylbenzamide?
The InChIKey is PXMCUVFCKWFOQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2S/c1-4-25-15-9-7-14(8-10-15)17(23)20-19-22-21-18(24-19)16-11-12(2)5-6-13(16)3/h5-11H,4H2,1-3H3,(H,20,22,23).
What are the key properties of N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-4-ethylsulfanylbenzamide?
N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-4-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-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-4-ethylsulfanylbenzamide is sourced from PubChem (CID 41044404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).