2-phenyl-5-(2-pyridin-2-ylsulfanylethyl)-1,3,4-oxadiazole

C15H13N3OS — CID 110656633

IUPAC2-phenyl-5-(2-pyridin-2-ylsulfanylethyl)-1,3,4-oxadiazole
SMILESc1ccc(-c2nnc(CCSc3ccccn3)o2)cc1
InChIInChI=1S/C15H13N3OS/c1-2-6-12(7-3-1)15-18-17-13(19-15)9-11-20-14-8-4-5-10-16-14/h1-8,10H,9,11H2
InChIKeyXNKBNXXGJGMDCA-UHFFFAOYSA-N
MW283.36 g/mol
LogP3.47
Rot. Bonds5

About 2-phenyl-5-(2-pyridin-2-ylsulfanylethyl)-1,3,4-oxadiazole

2-phenyl-5-(2-pyridin-2-ylsulfanylethyl)-1,3,4-oxadiazole (PubChem CID 110656633) has the molecular formula C15H13N3OS and a molecular weight of 283.36 g/mol. Its IUPAC name is 2-phenyl-5-(2-pyridin-2-ylsulfanylethyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-phenyl-5-(2-pyridin-2-ylsulfanylethyl)-1,3,4-oxadiazole
PubChem CID110656633
Molecular FormulaC15H13N3OS
Molecular Weight283.36 g/mol
Exact Mass283.08
IUPAC Name2-phenyl-5-(2-pyridin-2-ylsulfanylethyl)-1,3,4-oxadiazole
SMILESc1ccc(-c2nnc(CCSc3ccccn3)o2)cc1
InChIInChI=1S/C15H13N3OS/c1-2-6-12(7-3-1)15-18-17-13(19-15)9-11-20-14-8-4-5-10-16-14/h1-8,10H,9,11H2
InChIKeyXNKBNXXGJGMDCA-UHFFFAOYSA-N
XLogP3.47
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-phenyl-5-propyl-1,3,4-oxadiazole
CID 14949000
2-(2-chloroethyl)-5-phenyl-1,3,4-oxadiazole
CID 39242176
2-[2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)ethyl]-5-phenyl-1,3,4-oxadiazole
CID 110656638
2-(2-phenoxyethyl)-5-phenyl-1,3,4-oxadiazole
CID 110656027
N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-pyridin-2-ylethanamine
CID 60647502
3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-pyrimidin-2-ylpropanamide
CID 29368415
2-ethyl-5-phenyl-1,3,4-oxadiazole
CID 12520828
2-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 50848243
ethane;2-(methylsulfanylmethyl)-5-phenyl-1,3,4-oxadiazole
CID 178170665
4-(5-phenyl-1,3,4-oxadiazol-2-yl)butanoic acid
CID 23986643
3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoate
CID 7130632
1-phenyl-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]ethanamine
CID 110653660

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-5-(2-pyridin-2-ylsulfanylethyl)-1,3,4-oxadiazole?
The IUPAC name of 2-phenyl-5-(2-pyridin-2-ylsulfanylethyl)-1,3,4-oxadiazole (CID 110656633) is 2-phenyl-5-(2-pyridin-2-ylsulfanylethyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-phenyl-5-(2-pyridin-2-ylsulfanylethyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-phenyl-5-(2-pyridin-2-ylsulfanylethyl)-1,3,4-oxadiazole is c1ccc(-c2nnc(CCSc3ccccn3)o2)cc1.
What is the InChIKey of 2-phenyl-5-(2-pyridin-2-ylsulfanylethyl)-1,3,4-oxadiazole?
The InChIKey is XNKBNXXGJGMDCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3OS/c1-2-6-12(7-3-1)15-18-17-13(19-15)9-11-20-14-8-4-5-10-16-14/h1-8,10H,9,11H2.
What are the key properties of 2-phenyl-5-(2-pyridin-2-ylsulfanylethyl)-1,3,4-oxadiazole?
2-phenyl-5-(2-pyridin-2-ylsulfanylethyl)-1,3,4-oxadiazole has a molecular weight of 283.36 g/mol, XLogP of 3.47, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-5-(2-pyridin-2-ylsulfanylethyl)-1,3,4-oxadiazole is sourced from PubChem (CID 110656633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).