2-phenyl-5-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-oxadiazole

C17H12N4O2S — CID 4916028

IUPAC2-phenyl-5-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-oxadiazole
SMILESc1ccc(-c2noc(CSc3nnc(-c4ccccc4)o3)n2)cc1
InChIInChI=1S/C17H12N4O2S/c1-3-7-12(8-4-1)15-18-14(23-21-15)11-24-17-20-19-16(22-17)13-9-5-2-6-10-13/h1-10H,11H2
InChIKeyGHTNGWWLUPFGQK-UHFFFAOYSA-N
MW336.38 g/mol
LogP4.08
Rot. Bonds5

About 2-phenyl-5-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-oxadiazole

2-phenyl-5-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-oxadiazole (PubChem CID 4916028) has the molecular formula C17H12N4O2S and a molecular weight of 336.38 g/mol. Its IUPAC name is 2-phenyl-5-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-phenyl-5-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-oxadiazole
PubChem CID4916028
Molecular FormulaC17H12N4O2S
Molecular Weight336.38 g/mol
Exact Mass336.07
IUPAC Name2-phenyl-5-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-oxadiazole
SMILESc1ccc(-c2noc(CSc3nnc(-c4ccccc4)o3)n2)cc1
InChIInChI=1S/C17H12N4O2S/c1-3-7-12(8-4-1)15-18-14(23-21-15)11-24-17-20-19-16(22-17)13-9-5-2-6-10-13/h1-10H,11H2
InChIKeyGHTNGWWLUPFGQK-UHFFFAOYSA-N
XLogP4.08
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.38
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-5-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-oxadiazole?
The IUPAC name of 2-phenyl-5-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-oxadiazole (CID 4916028) is 2-phenyl-5-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-phenyl-5-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-phenyl-5-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-oxadiazole is c1ccc(-c2noc(CSc3nnc(-c4ccccc4)o3)n2)cc1.
What is the InChIKey of 2-phenyl-5-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-oxadiazole?
The InChIKey is GHTNGWWLUPFGQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4O2S/c1-3-7-12(8-4-1)15-18-14(23-21-15)11-24-17-20-19-16(22-17)13-9-5-2-6-10-13/h1-10H,11H2.
What are the key properties of 2-phenyl-5-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-oxadiazole?
2-phenyl-5-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-oxadiazole has a molecular weight of 336.38 g/mol, XLogP of 4.08, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-5-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-oxadiazole is sourced from PubChem (CID 4916028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).