2-benzylsulfinyl-5-pyridin-2-yl-1,3,4-oxadiazole

C14H11N3O2S — CID 10401673

IUPAC2-benzylsulfinyl-5-pyridin-2-yl-1,3,4-oxadiazole
SMILESO=S(Cc1ccccc1)c1nnc(-c2ccccn2)o1
InChIInChI=1S/C14H11N3O2S/c18-20(10-11-6-2-1-3-7-11)14-17-16-13(19-14)12-8-4-5-9-15-12/h1-9H,10H2
InChIKeyLULNHCNTQCLIFT-UHFFFAOYSA-N
MW285.33 g/mol
LogP2.44
Rot. Bonds4

About 2-benzylsulfinyl-5-pyridin-2-yl-1,3,4-oxadiazole

2-benzylsulfinyl-5-pyridin-2-yl-1,3,4-oxadiazole (PubChem CID 10401673) has the molecular formula C14H11N3O2S and a molecular weight of 285.33 g/mol. Its IUPAC name is 2-benzylsulfinyl-5-pyridin-2-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-benzylsulfinyl-5-pyridin-2-yl-1,3,4-oxadiazole
PubChem CID10401673
Molecular FormulaC14H11N3O2S
Molecular Weight285.33 g/mol
Exact Mass285.06
IUPAC Name2-benzylsulfinyl-5-pyridin-2-yl-1,3,4-oxadiazole
SMILESO=S(Cc1ccccc1)c1nnc(-c2ccccn2)o1
InChIInChI=1S/C14H11N3O2S/c18-20(10-11-6-2-1-3-7-11)14-17-16-13(19-14)12-8-4-5-9-15-12/h1-9H,10H2
InChIKeyLULNHCNTQCLIFT-UHFFFAOYSA-N
XLogP2.44
TPSA68.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(7-phenylheptylsulfinyl)-5-pyridin-2-yl-1,3,4-oxadiazole
CID 71416139
2-benzyl-5-pyridin-2-yl-1,3,4-oxadiazole
CID 156786960
2-benzylsulfinylpyridine
CID 13185049
2-(7-phenylheptyl)-5-pyridin-2-yl-1,3,4-oxadiazole
CID 44577785
2-phenyl-2-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)ethanamine
CID 82020898
2-[chloro(phenyl)methyl]-5-pyridin-2-yl-1,3,4-oxadiazole
CID 43245591
2-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)ethanol
CID 83530769
N-(2-phenylethyl)-3-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 110330251
5-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)pentanoic acid
CID 54929886
3-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanoic acid
CID 1467896
2-(6-pyridin-2-yl-2-pyridinyl)-5-[6-[5-(6-pyridin-2-yl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]-1,3,4-oxadiazole
CID 59514881
(4-pyridin-2-ylphenyl)methanesulfinic acid
CID 174730201

Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfinyl-5-pyridin-2-yl-1,3,4-oxadiazole?
The IUPAC name of 2-benzylsulfinyl-5-pyridin-2-yl-1,3,4-oxadiazole (CID 10401673) is 2-benzylsulfinyl-5-pyridin-2-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-benzylsulfinyl-5-pyridin-2-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-benzylsulfinyl-5-pyridin-2-yl-1,3,4-oxadiazole is O=S(Cc1ccccc1)c1nnc(-c2ccccn2)o1.
What is the InChIKey of 2-benzylsulfinyl-5-pyridin-2-yl-1,3,4-oxadiazole?
The InChIKey is LULNHCNTQCLIFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2S/c18-20(10-11-6-2-1-3-7-11)14-17-16-13(19-14)12-8-4-5-9-15-12/h1-9H,10H2.
What are the key properties of 2-benzylsulfinyl-5-pyridin-2-yl-1,3,4-oxadiazole?
2-benzylsulfinyl-5-pyridin-2-yl-1,3,4-oxadiazole has a molecular weight of 285.33 g/mol, XLogP of 2.44, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfinyl-5-pyridin-2-yl-1,3,4-oxadiazole is sourced from PubChem (CID 10401673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).