2-phenylsulfanyl-N-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)acetamide

C15H12N4O2S — CID 16823760

IUPAC2-phenylsulfanyl-N-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)acetamide
SMILESO=C(CSc1ccccc1)Nc1nnc(-c2ccccn2)o1
InChIInChI=1S/C15H12N4O2S/c20-13(10-22-11-6-2-1-3-7-11)17-15-19-18-14(21-15)12-8-4-5-9-16-12/h1-9H,10H2,(H,17,19,20)
InChIKeyZKMWTHBOQBJOGD-UHFFFAOYSA-N
MW312.35 g/mol
LogP2.86
Rot. Bonds5

About 2-phenylsulfanyl-N-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)acetamide

2-phenylsulfanyl-N-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)acetamide (PubChem CID 16823760) has the molecular formula C15H12N4O2S and a molecular weight of 312.35 g/mol. Its IUPAC name is 2-phenylsulfanyl-N-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-phenylsulfanyl-N-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)acetamide
PubChem CID16823760
Molecular FormulaC15H12N4O2S
Molecular Weight312.35 g/mol
Exact Mass312.07
IUPAC Name2-phenylsulfanyl-N-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)acetamide
SMILESO=C(CSc1ccccc1)Nc1nnc(-c2ccccn2)o1
InChIInChI=1S/C15H12N4O2S/c20-13(10-22-11-6-2-1-3-7-11)17-15-19-18-14(21-15)12-8-4-5-9-16-12/h1-9H,10H2,(H,17,19,20)
InChIKeyZKMWTHBOQBJOGD-UHFFFAOYSA-N
XLogP2.86
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.35
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-2-phenylsulfanylacetamide
CID 43977044
N-(2-benzoylphenyl)-2-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 3423193
2,6-difluoro-N-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)benzamide
CID 4581521
2-phenylsulfanyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide
CID 87018830
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 3915967
3-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanoic acid
CID 1467896
2-(4-fluorophenyl)sulfanyl-N-[5-(1,2-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]acetamide
CID 16861350
N-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2-(4-fluorophenyl)sulfanylacetamide
CID 43971912
2-(4-chlorophenyl)sulfanyl-N-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 43976507
N-(5-phenyl-1,3,4-oxadiazol-2-yl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 7837089
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 3454294
N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-(4-methylphenyl)sulfanylacetamide
CID 7254564

Frequently Asked Questions

What is the IUPAC name of 2-phenylsulfanyl-N-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)acetamide?
The IUPAC name of 2-phenylsulfanyl-N-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)acetamide (CID 16823760) is 2-phenylsulfanyl-N-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)acetamide.
What is the SMILES notation for 2-phenylsulfanyl-N-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)acetamide?
The canonical SMILES for 2-phenylsulfanyl-N-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)acetamide is O=C(CSc1ccccc1)Nc1nnc(-c2ccccn2)o1.
What is the InChIKey of 2-phenylsulfanyl-N-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)acetamide?
The InChIKey is ZKMWTHBOQBJOGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O2S/c20-13(10-22-11-6-2-1-3-7-11)17-15-19-18-14(21-15)12-8-4-5-9-16-12/h1-9H,10H2,(H,17,19,20).
What are the key properties of 2-phenylsulfanyl-N-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)acetamide?
2-phenylsulfanyl-N-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)acetamide has a molecular weight of 312.35 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylsulfanyl-N-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)acetamide is sourced from PubChem (CID 16823760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).