N-[4-(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]acetamide

C16H14N4O2S — CID 71578658

IUPACN-[4-(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2nnc(SCc3ccccc3)o2)ccn1
InChIInChI=1S/C16H14N4O2S/c1-11(21)18-14-9-13(7-8-17-14)15-19-20-16(22-15)23-10-12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,17,18,21)
InChIKeyPFSOTOJNKFKFFB-UHFFFAOYSA-N
MW326.38 g/mol
LogP3.38
Rot. Bonds5

About N-[4-(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]acetamide

N-[4-(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]acetamide (PubChem CID 71578658) has the molecular formula C16H14N4O2S and a molecular weight of 326.38 g/mol. Its IUPAC name is N-[4-(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]acetamide
PubChem CID71578658
Molecular FormulaC16H14N4O2S
Molecular Weight326.38 g/mol
Exact Mass326.08
IUPAC NameN-[4-(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2nnc(SCc3ccccc3)o2)ccn1
InChIInChI=1S/C16H14N4O2S/c1-11(21)18-14-9-13(7-8-17-14)15-19-20-16(22-15)23-10-12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,17,18,21)
InChIKeyPFSOTOJNKFKFFB-UHFFFAOYSA-N
XLogP3.38
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Pyridine, 4-[5-[(phenylmethyl)thio]-1,3,4-oxadiazol-2-yl]-
CID 805390
GSK-3 Inhibitor II
CID 6539732
(1R,2R)-N-(cyanomethyl)-2-({[5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}methyl)cyclohexane-1-carboxamide
CID 10108990
N-(2,5-dimethylphenyl)-2-{[5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetamide
CID 934375
4-{5-[(4-Fluorobenzyl)thio]-1,3,4-oxadiazol-2-yl}pyridine
CID 975378
4-(5-{[(3-Fluorophenyl)methyl]sulfanyl}-1,3,4-oxadiazol-2-yl)pyridine
CID 6539734
N-ethyl-N-phenyl-2-{[5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetamide
CID 2981823
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
N-(4-methylphenyl)-2-{[5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetamide
CID 937401
1-Phenyl-2-{[5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}ethan-1-one
CID 3136305
4-(5-{[(3-Phenyl-1,2,4-oxadiazol-5-yl)methyl]sulfanyl}-1,3,4-oxadiazol-2-yl)pyridine
CID 17408143

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]acetamide?
The IUPAC name of N-[4-(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]acetamide (CID 71578658) is N-[4-(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]acetamide is CC(=O)Nc1cc(-c2nnc(SCc3ccccc3)o2)ccn1.
What is the InChIKey of N-[4-(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]acetamide?
The InChIKey is PFSOTOJNKFKFFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O2S/c1-11(21)18-14-9-13(7-8-17-14)15-19-20-16(22-15)23-10-12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,17,18,21).
What are the key properties of N-[4-(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]acetamide?
N-[4-(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]acetamide has a molecular weight of 326.38 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]acetamide is sourced from PubChem (CID 71578658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).