2,6-ditert-butyl-4-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)phenol

C17H24N2O2S — CID 135786531

IUPAC2,6-ditert-butyl-4-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)phenol
SMILESCSc1nnc(-c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)o1
InChIInChI=1S/C17H24N2O2S/c1-16(2,3)11-8-10(14-18-19-15(21-14)22-7)9-12(13(11)20)17(4,5)6/h8-9,20H,1-7H3
InChIKeyPLGLAJLBAYJKAX-UHFFFAOYSA-N
MW320.46 g/mol
LogP4.76
Rot. Bonds2

About 2,6-ditert-butyl-4-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)phenol

2,6-ditert-butyl-4-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)phenol (PubChem CID 135786531) has the molecular formula C17H24N2O2S and a molecular weight of 320.46 g/mol. Its IUPAC name is 2,6-ditert-butyl-4-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)phenol.

Molecular Properties

Compound Name2,6-ditert-butyl-4-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)phenol
PubChem CID135786531
Molecular FormulaC17H24N2O2S
Molecular Weight320.46 g/mol
Exact Mass320.16
IUPAC Name2,6-ditert-butyl-4-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)phenol
SMILESCSc1nnc(-c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)o1
InChIInChI=1S/C17H24N2O2S/c1-16(2,3)11-8-10(14-18-19-15(21-14)22-7)9-12(13(11)20)17(4,5)6/h8-9,20H,1-7H3
InChIKeyPLGLAJLBAYJKAX-UHFFFAOYSA-N
XLogP4.76
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.46
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(5-Amino-[1,3,4]oxadiazol-2-yl)-2,6-di-tert-butyl-phenol
CID 135449130
4-(5-Benzylsulfanyl-[1,3,4]oxadiazol-2-yl)-phenol
CID 855989
5-(3,5-Di-tert-butyl-4-hydroxy-phenyl)-[1,3,4]oxadiazol-2-yl-cyanamide
CID 135786528
N-[5-(3,5-Di-tert-butyl-4-hydroxy-phenyl)-[1,3,4]oxadiazol-2-yl]-guanidine
CID 135786539
4-(5-Cyclohexylmethylsulfanyl-[1,3,4]oxadiazol-2-yl)-phenol
CID 649051
2,6-Di-tert-butyl-4-(5-ethylsulfanyl-[1,3,4]oxadiazol-2-yl)-phenol
CID 135419252
2-{[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}-N,N-dimethylacetamide
CID 1945431
4-[5-(prop-2-ynylthio)-3H-1,3,4-oxadiazol-2-ylidene]-1-cyclohexa-2,5-dienone
CID 3328536
2,6-Di-tert-butyl-4-(5-propylsulfanyl-[1,3,4]oxadiazol-2-yl)-phenol
CID 135461834
SARS-CoV-2-IN-22
CID 164516843
4-(5-Methyl-1,3,4-oxadiazol-2-YL)phenol
CID 5124602
{[5-(4-Hydroxyphenyl)-1,3,4-oxadiazol-2-yl]thio}acetic acid
CID 1133232

Frequently Asked Questions

What is the IUPAC name of 2,6-ditert-butyl-4-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)phenol?
The IUPAC name of 2,6-ditert-butyl-4-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)phenol (CID 135786531) is 2,6-ditert-butyl-4-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)phenol.
What is the SMILES notation for 2,6-ditert-butyl-4-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)phenol?
The canonical SMILES for 2,6-ditert-butyl-4-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)phenol is CSc1nnc(-c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)o1.
What is the InChIKey of 2,6-ditert-butyl-4-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)phenol?
The InChIKey is PLGLAJLBAYJKAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2S/c1-16(2,3)11-8-10(14-18-19-15(21-14)22-7)9-12(13(11)20)17(4,5)6/h8-9,20H,1-7H3.
What are the key properties of 2,6-ditert-butyl-4-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)phenol?
2,6-ditert-butyl-4-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)phenol has a molecular weight of 320.46 g/mol, XLogP of 4.76, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-ditert-butyl-4-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)phenol is sourced from PubChem (CID 135786531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).