2-methylsulfanyl-N-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide

C16H13N3O2S — CID 7565083

IUPAC2-methylsulfanyl-N-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
SMILESCSc1ccccc1C(=O)Nc1nnc(-c2ccccc2)o1
InChIInChI=1S/C16H13N3O2S/c1-22-13-10-6-5-9-12(13)14(20)17-16-19-18-15(21-16)11-7-3-2-4-8-11/h2-10H,1H3,(H,17,19,20)
InChIKeyVOMJZVJSVAFBES-UHFFFAOYSA-N
MW311.37 g/mol
LogP3.71
Rot. Bonds4

About 2-methylsulfanyl-N-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide

2-methylsulfanyl-N-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide (PubChem CID 7565083) has the molecular formula C16H13N3O2S and a molecular weight of 311.37 g/mol. Its IUPAC name is 2-methylsulfanyl-N-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide.

Molecular Properties

Compound Name2-methylsulfanyl-N-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
PubChem CID7565083
Molecular FormulaC16H13N3O2S
Molecular Weight311.37 g/mol
Exact Mass311.07
IUPAC Name2-methylsulfanyl-N-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
SMILESCSc1ccccc1C(=O)Nc1nnc(-c2ccccc2)o1
InChIInChI=1S/C16H13N3O2S/c1-22-13-10-6-5-9-12(13)14(20)17-16-19-18-15(21-16)11-7-3-2-4-8-11/h2-10H,1H3,(H,17,19,20)
InChIKeyVOMJZVJSVAFBES-UHFFFAOYSA-N
XLogP3.71
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.37
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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
2-fluoro-N-[5-(2-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 7577911
2-ethylsulfanyl-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 43972468
N-(5-phenyl-1,3,4-oxadiazol-2-yl)-4-propan-2-ylsulfanylbenzamide
CID 41147646
N-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-2-ethylsulfanylbenzamide
CID 41375411
2,6-dimethoxy-N-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
CID 3518645
2-[(4-bromobenzoyl)amino]-N-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
CID 45019880
2-[(4-chlorobenzoyl)amino]-N-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
CID 45017764
2,3-dimethoxy-N-[5-(4-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 7578119
2-bromo-2-methyl-N-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 114327579
6-fluoro-N-(5-phenyl-1,3,4-oxadiazol-2-yl)pyridine-3-carboxamide
CID 63980510

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-N-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide?
The IUPAC name of 2-methylsulfanyl-N-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide (CID 7565083) is 2-methylsulfanyl-N-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide.
What is the SMILES notation for 2-methylsulfanyl-N-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide?
The canonical SMILES for 2-methylsulfanyl-N-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide is CSc1ccccc1C(=O)Nc1nnc(-c2ccccc2)o1.
What is the InChIKey of 2-methylsulfanyl-N-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide?
The InChIKey is VOMJZVJSVAFBES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2S/c1-22-13-10-6-5-9-12(13)14(20)17-16-19-18-15(21-16)11-7-3-2-4-8-11/h2-10H,1H3,(H,17,19,20).
What are the key properties of 2-methylsulfanyl-N-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide?
2-methylsulfanyl-N-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide has a molecular weight of 311.37 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-N-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide is sourced from PubChem (CID 7565083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).