2-(2-methylsulfanylphenyl)-5-phenyl-1,3,4-oxadiazole

C15H12N2OS — CID 1484133

IUPAC2-(2-methylsulfanylphenyl)-5-phenyl-1,3,4-oxadiazole
SMILESCSc1ccccc1-c1nnc(-c2ccccc2)o1
InChIInChI=1S/C15H12N2OS/c1-19-13-10-6-5-9-12(13)15-17-16-14(18-15)11-7-3-2-4-8-11/h2-10H,1H3
InChIKeyXNQSCZPDOBRILD-UHFFFAOYSA-N
MW268.34 g/mol
LogP4.13
Rot. Bonds3

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

2-(2-methylsulfanylphenyl)-5-phenyl-1,3,4-oxadiazole (PubChem CID 1484133) has the molecular formula C15H12N2OS and a molecular weight of 268.34 g/mol. Its IUPAC name is 2-(2-methylsulfanylphenyl)-5-phenyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(2-methylsulfanylphenyl)-5-phenyl-1,3,4-oxadiazole
PubChem CID1484133
Molecular FormulaC15H12N2OS
Molecular Weight268.34 g/mol
Exact Mass268.07
IUPAC Name2-(2-methylsulfanylphenyl)-5-phenyl-1,3,4-oxadiazole
SMILESCSc1ccccc1-c1nnc(-c2ccccc2)o1
InChIInChI=1S/C15H12N2OS/c1-19-13-10-6-5-9-12(13)15-17-16-14(18-15)11-7-3-2-4-8-11/h2-10H,1H3
InChIKeyXNQSCZPDOBRILD-UHFFFAOYSA-N
XLogP4.13
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylsulfanylphenyl)-5-phenyl-1,3,4-oxadiazole?
The IUPAC name of 2-(2-methylsulfanylphenyl)-5-phenyl-1,3,4-oxadiazole (CID 1484133) is 2-(2-methylsulfanylphenyl)-5-phenyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-(2-methylsulfanylphenyl)-5-phenyl-1,3,4-oxadiazole?
The canonical SMILES for 2-(2-methylsulfanylphenyl)-5-phenyl-1,3,4-oxadiazole is CSc1ccccc1-c1nnc(-c2ccccc2)o1.
What is the InChIKey of 2-(2-methylsulfanylphenyl)-5-phenyl-1,3,4-oxadiazole?
The InChIKey is XNQSCZPDOBRILD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2OS/c1-19-13-10-6-5-9-12(13)15-17-16-14(18-15)11-7-3-2-4-8-11/h2-10H,1H3.
What are the key properties of 2-(2-methylsulfanylphenyl)-5-phenyl-1,3,4-oxadiazole?
2-(2-methylsulfanylphenyl)-5-phenyl-1,3,4-oxadiazole has a molecular weight of 268.34 g/mol, XLogP of 4.13, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylsulfanylphenyl)-5-phenyl-1,3,4-oxadiazole is sourced from PubChem (CID 1484133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).