2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-pyridin-2-ylacetamide

C15H12N4O2S — CID 934123

IUPAC2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-pyridin-2-ylacetamide
SMILESO=C(CSc1nnc(-c2ccccc2)o1)Nc1ccccn1
InChIInChI=1S/C15H12N4O2S/c20-13(17-12-8-4-5-9-16-12)10-22-15-19-18-14(21-15)11-6-2-1-3-7-11/h1-9H,10H2,(H,16,17,20)
InChIKeyFQCPMHUFBSCRJK-UHFFFAOYSA-N
MW312.35 g/mol
LogP2.86
Rot. Bonds5

About 2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-pyridin-2-ylacetamide

2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-pyridin-2-ylacetamide (PubChem CID 934123) has the molecular formula C15H12N4O2S and a molecular weight of 312.35 g/mol. Its IUPAC name is 2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-pyridin-2-ylacetamide.

Molecular Properties

Compound Name2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-pyridin-2-ylacetamide
PubChem CID934123
Molecular FormulaC15H12N4O2S
Molecular Weight312.35 g/mol
Exact Mass312.07
IUPAC Name2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-pyridin-2-ylacetamide
SMILESO=C(CSc1nnc(-c2ccccc2)o1)Nc1ccccn1
InChIInChI=1S/C15H12N4O2S/c20-13(17-12-8-4-5-9-16-12)10-22-15-19-18-14(21-15)11-6-2-1-3-7-11/h1-9H,10H2,(H,16,17,20)
InChIKeyFQCPMHUFBSCRJK-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

3-methyl-N-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)benzamide
CID 3397365
N-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)benzamide
CID 7100780
4-(5-{[(3-Phenyl-1,2,4-oxadiazol-5-yl)methyl]sulfanyl}-1,3,4-oxadiazol-2-yl)pyridine
CID 17408143
N-[4-(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]acetamide
CID 71578658
N-[4-[5-[(3-cyanophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]-2-pyridinyl]acetamide
CID 71578744
Pyridine, 3-(5-phenyl-[1,3,4]oxadiazol-2-ylsulfanylmethyl)-
CID 861609
2-(4-Fluorophenyl)-5-(pyridin-3-ylmethylsulfanyl)-1,3,4-oxadiazole
CID 859938
2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-pyridin-2-ylacetamide
CID 974448
N-(2-pyridinyl)-2-[[5-(3-pyridinyl)-1,3,4-oxadiazol-2-yl]thio]acetamide
CID 974453
2-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]thio]-N-(2-pyridinyl)acetamide
CID 1259978
N-(4-methylphenyl)-6-({[5-(4-pyridinyl)-1,3,4-oxadiazol-2-yl]thio}methyl)-1,3,5-triazine-2,4-diamine
CID 1625604
2-fluoro-N-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)benzamide
CID 3463675

Frequently Asked Questions

What is the IUPAC name of 2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-pyridin-2-ylacetamide?
The IUPAC name of 2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-pyridin-2-ylacetamide (CID 934123) is 2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-pyridin-2-ylacetamide.
What is the SMILES notation for 2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-pyridin-2-ylacetamide?
The canonical SMILES for 2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-pyridin-2-ylacetamide is O=C(CSc1nnc(-c2ccccc2)o1)Nc1ccccn1.
What is the InChIKey of 2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-pyridin-2-ylacetamide?
The InChIKey is FQCPMHUFBSCRJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O2S/c20-13(17-12-8-4-5-9-16-12)10-22-15-19-18-14(21-15)11-6-2-1-3-7-11/h1-9H,10H2,(H,16,17,20).
What are the key properties of 2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-pyridin-2-ylacetamide?
2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-pyridin-2-ylacetamide 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-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-pyridin-2-ylacetamide is sourced from PubChem (CID 934123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).