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

C16H17N5O2S — CID 25283241

IUPACN-[5-(1,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]-2-ethylsulfanylbenzamide
SMILESCCSc1ccccc1C(=O)Nc1nnc(-c2cc(C)n(C)n2)o1
InChIInChI=1S/C16H17N5O2S/c1-4-24-13-8-6-5-7-11(13)14(22)17-16-19-18-15(23-16)12-9-10(2)21(3)20-12/h5-9H,4H2,1-3H3,(H,17,19,22)
InChIKeyBIJDXJMAJCPEMC-UHFFFAOYSA-N
MW343.41 g/mol
LogP3.14
Rot. Bonds5

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

N-[5-(1,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]-2-ethylsulfanylbenzamide (PubChem CID 25283241) has the molecular formula C16H17N5O2S and a molecular weight of 343.41 g/mol. Its IUPAC name is N-[5-(1,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]-2-ethylsulfanylbenzamide.

Molecular Properties

Compound NameN-[5-(1,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]-2-ethylsulfanylbenzamide
PubChem CID25283241
Molecular FormulaC16H17N5O2S
Molecular Weight343.41 g/mol
Exact Mass343.11
IUPAC NameN-[5-(1,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]-2-ethylsulfanylbenzamide
SMILESCCSc1ccccc1C(=O)Nc1nnc(-c2cc(C)n(C)n2)o1
InChIInChI=1S/C16H17N5O2S/c1-4-24-13-8-6-5-7-11(13)14(22)17-16-19-18-15(23-16)12-9-10(2)21(3)20-12/h5-9H,4H2,1-3H3,(H,17,19,22)
InChIKeyBIJDXJMAJCPEMC-UHFFFAOYSA-N
XLogP3.14
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-2-ethylsulfanylbenzamide
CID 41375411
N-[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-2-ethylsulfanylbenzamide
CID 40957771
N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-ethylsulfanylbenzamide
CID 18576988
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]-3-phenylprop-2-enamide
CID 71961523
N-[5-(1,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]-2-(4-fluorophenyl)acetamide
CID 25283247
N-[5-(1,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]-3,4,5-trimethoxybenzamide
CID 25283142
4-[butyl(methyl)sulfamoyl]-N-[5-(1,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]benzamide
CID 25283215
2-methylsulfanyl-N-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
CID 7565083
2-ethylsulfanyl-N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 970322
2-[(2-ethylsulfanylbenzoyl)amino]benzoic acid
CID 17204466
2-fluoro-N-[5-(2-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 7577911

Frequently Asked Questions

What is the IUPAC name of N-[5-(1,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]-2-ethylsulfanylbenzamide?
The IUPAC name of N-[5-(1,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]-2-ethylsulfanylbenzamide (CID 25283241) is N-[5-(1,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]-2-ethylsulfanylbenzamide.
What is the SMILES notation for N-[5-(1,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]-2-ethylsulfanylbenzamide?
The canonical SMILES for N-[5-(1,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]-2-ethylsulfanylbenzamide is CCSc1ccccc1C(=O)Nc1nnc(-c2cc(C)n(C)n2)o1.
What is the InChIKey of N-[5-(1,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]-2-ethylsulfanylbenzamide?
The InChIKey is BIJDXJMAJCPEMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2S/c1-4-24-13-8-6-5-7-11(13)14(22)17-16-19-18-15(23-16)12-9-10(2)21(3)20-12/h5-9H,4H2,1-3H3,(H,17,19,22).
What are the key properties of N-[5-(1,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]-2-ethylsulfanylbenzamide?
N-[5-(1,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]-2-ethylsulfanylbenzamide has a molecular weight of 343.41 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]-2-ethylsulfanylbenzamide is sourced from PubChem (CID 25283241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).