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

C15H14N2OS — CID 4784423

IUPAC5-(4-methylsulfanylphenyl)-3-phenyl-2,5-dihydro-1,2,4-oxadiazole
SMILESCSc1ccc(C2N=C(c3ccccc3)NO2)cc1
InChIInChI=1S/C15H14N2OS/c1-19-13-9-7-12(8-10-13)15-16-14(17-18-15)11-5-3-2-4-6-11/h2-10,15H,1H3,(H,16,17)
InChIKeyUVKXDTPTMFRVBP-UHFFFAOYSA-N
MW270.36 g/mol
LogP3.39
Rot. Bonds3

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

5-(4-methylsulfanylphenyl)-3-phenyl-2,5-dihydro-1,2,4-oxadiazole (PubChem CID 4784423) has the molecular formula C15H14N2OS and a molecular weight of 270.36 g/mol. Its IUPAC name is 5-(4-methylsulfanylphenyl)-3-phenyl-2,5-dihydro-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(4-methylsulfanylphenyl)-3-phenyl-2,5-dihydro-1,2,4-oxadiazole
PubChem CID4784423
Molecular FormulaC15H14N2OS
Molecular Weight270.36 g/mol
Exact Mass270.08
IUPAC Name5-(4-methylsulfanylphenyl)-3-phenyl-2,5-dihydro-1,2,4-oxadiazole
SMILESCSc1ccc(C2N=C(c3ccccc3)NO2)cc1
InChIInChI=1S/C15H14N2OS/c1-19-13-9-7-12(8-10-13)15-16-14(17-18-15)11-5-3-2-4-6-11/h2-10,15H,1H3,(H,16,17)
InChIKeyUVKXDTPTMFRVBP-UHFFFAOYSA-N
XLogP3.39
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methylsulfanylphenyl)-3-phenyl-2,5-dihydro-1,2,4-oxadiazole?
The IUPAC name of 5-(4-methylsulfanylphenyl)-3-phenyl-2,5-dihydro-1,2,4-oxadiazole (CID 4784423) is 5-(4-methylsulfanylphenyl)-3-phenyl-2,5-dihydro-1,2,4-oxadiazole.
What is the SMILES notation for 5-(4-methylsulfanylphenyl)-3-phenyl-2,5-dihydro-1,2,4-oxadiazole?
The canonical SMILES for 5-(4-methylsulfanylphenyl)-3-phenyl-2,5-dihydro-1,2,4-oxadiazole is CSc1ccc(C2N=C(c3ccccc3)NO2)cc1.
What is the InChIKey of 5-(4-methylsulfanylphenyl)-3-phenyl-2,5-dihydro-1,2,4-oxadiazole?
The InChIKey is UVKXDTPTMFRVBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2OS/c1-19-13-9-7-12(8-10-13)15-16-14(17-18-15)11-5-3-2-4-6-11/h2-10,15H,1H3,(H,16,17).
What are the key properties of 5-(4-methylsulfanylphenyl)-3-phenyl-2,5-dihydro-1,2,4-oxadiazole?
5-(4-methylsulfanylphenyl)-3-phenyl-2,5-dihydro-1,2,4-oxadiazole has a molecular weight of 270.36 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylsulfanylphenyl)-3-phenyl-2,5-dihydro-1,2,4-oxadiazole is sourced from PubChem (CID 4784423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).