N-(5-ethylsulfanyl-1,3,4-oxadiazol-2-yl)-3,5-dimethylbenzamide

C13H15N3O2S — CID 152561072

IUPACN-(5-ethylsulfanyl-1,3,4-oxadiazol-2-yl)-3,5-dimethylbenzamide
SMILESCCSc1nnc(NC(=O)c2cc(C)cc(C)c2)o1
InChIInChI=1S/C13H15N3O2S/c1-4-19-13-16-15-12(18-13)14-11(17)10-6-8(2)5-9(3)7-10/h5-7H,4H2,1-3H3,(H,14,15,17)
InChIKeyYPMXBDKTUFPAGL-UHFFFAOYSA-N
MW277.35 g/mol
LogP3.05
Rot. Bonds4

About N-(5-ethylsulfanyl-1,3,4-oxadiazol-2-yl)-3,5-dimethylbenzamide

N-(5-ethylsulfanyl-1,3,4-oxadiazol-2-yl)-3,5-dimethylbenzamide (PubChem CID 152561072) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is N-(5-ethylsulfanyl-1,3,4-oxadiazol-2-yl)-3,5-dimethylbenzamide.

Molecular Properties

Compound NameN-(5-ethylsulfanyl-1,3,4-oxadiazol-2-yl)-3,5-dimethylbenzamide
PubChem CID152561072
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC NameN-(5-ethylsulfanyl-1,3,4-oxadiazol-2-yl)-3,5-dimethylbenzamide
SMILESCCSc1nnc(NC(=O)c2cc(C)cc(C)c2)o1
InChIInChI=1S/C13H15N3O2S/c1-4-19-13-16-15-12(18-13)14-11(17)10-6-8(2)5-9(3)7-10/h5-7H,4H2,1-3H3,(H,14,15,17)
InChIKeyYPMXBDKTUFPAGL-UHFFFAOYSA-N
XLogP3.05
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-[(4-ethylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-3,5-dimethylbenzamide
CID 43975536
N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-4-ethylsulfanylbenzamide
CID 41044404
3,5-dimethyl-N-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]benzamide
CID 90602756
N-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-3,4,5-triethoxybenzamide
CID 43976750
3,5-dibromo-N-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide
CID 107980577
3,5-dichloro-N-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 43976885
3-bromo-N-[5-[(4-ethylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 43975347
N-[5-[(4-ethylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-4-(trifluoromethyl)benzamide
CID 43975320
3,5-dimethyl-N-(2,4,6-trimethylphenyl)benzamide
CID 918543
4-ethoxy-N-[5-[(4-ethylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 43975408
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

Frequently Asked Questions

What is the IUPAC name of N-(5-ethylsulfanyl-1,3,4-oxadiazol-2-yl)-3,5-dimethylbenzamide?
The IUPAC name of N-(5-ethylsulfanyl-1,3,4-oxadiazol-2-yl)-3,5-dimethylbenzamide (CID 152561072) is N-(5-ethylsulfanyl-1,3,4-oxadiazol-2-yl)-3,5-dimethylbenzamide.
What is the SMILES notation for N-(5-ethylsulfanyl-1,3,4-oxadiazol-2-yl)-3,5-dimethylbenzamide?
The canonical SMILES for N-(5-ethylsulfanyl-1,3,4-oxadiazol-2-yl)-3,5-dimethylbenzamide is CCSc1nnc(NC(=O)c2cc(C)cc(C)c2)o1.
What is the InChIKey of N-(5-ethylsulfanyl-1,3,4-oxadiazol-2-yl)-3,5-dimethylbenzamide?
The InChIKey is YPMXBDKTUFPAGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c1-4-19-13-16-15-12(18-13)14-11(17)10-6-8(2)5-9(3)7-10/h5-7H,4H2,1-3H3,(H,14,15,17).
What are the key properties of N-(5-ethylsulfanyl-1,3,4-oxadiazol-2-yl)-3,5-dimethylbenzamide?
N-(5-ethylsulfanyl-1,3,4-oxadiazol-2-yl)-3,5-dimethylbenzamide has a molecular weight of 277.35 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethylsulfanyl-1,3,4-oxadiazol-2-yl)-3,5-dimethylbenzamide is sourced from PubChem (CID 152561072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).