2-benzylsulfanyl-5-phenyl-1,3,4-oxadiazole

C15H12N2OS — CID 2843335

IUPAC2-benzylsulfanyl-5-phenyl-1,3,4-oxadiazole
SMILESc1ccc(CSc2nnc(-c3ccccc3)o2)cc1
InChIInChI=1S/C15H12N2OS/c1-3-7-12(8-4-1)11-19-15-17-16-14(18-15)13-9-5-2-6-10-13/h1-10H,11H2
InChIKeyJQQURXNULCDCHO-UHFFFAOYSA-N
MW268.34 g/mol
LogP4.03
Rot. Bonds4

About 2-benzylsulfanyl-5-phenyl-1,3,4-oxadiazole

2-benzylsulfanyl-5-phenyl-1,3,4-oxadiazole (PubChem CID 2843335) has the molecular formula C15H12N2OS and a molecular weight of 268.34 g/mol. Its IUPAC name is 2-benzylsulfanyl-5-phenyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-benzylsulfanyl-5-phenyl-1,3,4-oxadiazole
PubChem CID2843335
Molecular FormulaC15H12N2OS
Molecular Weight268.34 g/mol
Exact Mass268.07
IUPAC Name2-benzylsulfanyl-5-phenyl-1,3,4-oxadiazole
SMILESc1ccc(CSc2nnc(-c3ccccc3)o2)cc1
InChIInChI=1S/C15H12N2OS/c1-3-7-12(8-4-1)11-19-15-17-16-14(18-15)13-9-5-2-6-10-13/h1-10H,11H2
InChIKeyJQQURXNULCDCHO-UHFFFAOYSA-N
XLogP4.03
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfanyl-5-phenyl-1,3,4-oxadiazole?
The IUPAC name of 2-benzylsulfanyl-5-phenyl-1,3,4-oxadiazole (CID 2843335) is 2-benzylsulfanyl-5-phenyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-benzylsulfanyl-5-phenyl-1,3,4-oxadiazole?
The canonical SMILES for 2-benzylsulfanyl-5-phenyl-1,3,4-oxadiazole is c1ccc(CSc2nnc(-c3ccccc3)o2)cc1.
What is the InChIKey of 2-benzylsulfanyl-5-phenyl-1,3,4-oxadiazole?
The InChIKey is JQQURXNULCDCHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2OS/c1-3-7-12(8-4-1)11-19-15-17-16-14(18-15)13-9-5-2-6-10-13/h1-10H,11H2.
What are the key properties of 2-benzylsulfanyl-5-phenyl-1,3,4-oxadiazole?
2-benzylsulfanyl-5-phenyl-1,3,4-oxadiazole has a molecular weight of 268.34 g/mol, XLogP of 4.03, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfanyl-5-phenyl-1,3,4-oxadiazole is sourced from PubChem (CID 2843335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).