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

C18H26N2O2S — CID 135419252

IUPAC2,6-ditert-butyl-4-(5-ethylsulfanyl-1,3,4-oxadiazol-2-yl)phenol
SMILESCCSc1nnc(-c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)o1
InChIInChI=1S/C18H26N2O2S/c1-8-23-16-20-19-15(22-16)11-9-12(17(2,3)4)14(21)13(10-11)18(5,6)7/h9-10,21H,8H2,1-7H3
InChIKeyMIOCGGZLPFHSEZ-UHFFFAOYSA-N
MW334.49 g/mol
LogP5.15
Rot. Bonds3

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

2,6-ditert-butyl-4-(5-ethylsulfanyl-1,3,4-oxadiazol-2-yl)phenol (PubChem CID 135419252) has the molecular formula C18H26N2O2S and a molecular weight of 334.49 g/mol. Its IUPAC name is 2,6-ditert-butyl-4-(5-ethylsulfanyl-1,3,4-oxadiazol-2-yl)phenol.

Molecular Properties

Compound Name2,6-ditert-butyl-4-(5-ethylsulfanyl-1,3,4-oxadiazol-2-yl)phenol
PubChem CID135419252
Molecular FormulaC18H26N2O2S
Molecular Weight334.49 g/mol
Exact Mass334.17
IUPAC Name2,6-ditert-butyl-4-(5-ethylsulfanyl-1,3,4-oxadiazol-2-yl)phenol
SMILESCCSc1nnc(-c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)o1
InChIInChI=1S/C18H26N2O2S/c1-8-23-16-20-19-15(22-16)11-9-12(17(2,3)4)14(21)13(10-11)18(5,6)7/h9-10,21H,8H2,1-7H3
InChIKeyMIOCGGZLPFHSEZ-UHFFFAOYSA-N
XLogP5.15
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.49
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3,5-ditert-butyl-4-hydroxyphenyl)-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone
CID 71700319
2,6-ditert-butyl-4-[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]phenol
CID 136694939
2,6-ditert-butyl-4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenol
CID 136694940
2-ethylsulfanyl-5-(4-methylphenyl)-1,3,4-oxadiazole
CID 35766151
N-[3-(5-ethylsulfanyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide
CID 3164514
2-[[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-thiophen-2-ylethanone
CID 7562672
2,6-ditert-butyl-4-[2-[5-[(2,4-dichlorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]ethyl]phenol
CID 21234535
2-(3-chlorophenyl)-5-(ethoxymethylsulfanyl)-1,3,4-oxadiazole
CID 100686773
3-[2-(3,5-ditert-butyl-4-hydroxyphenyl)-1,3-oxazol-4-yl]propanenitrile
CID 135725108
N-tert-butyl-2-[[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 1173001
8,17,26-tritert-butyl-29,31,33-trioxa-3,4,12,13,21,22-hexazaheptacyclo[22.3.1.12,5.16,10.111,14.115,19.120,23]tritriaconta-1(28),2,4,6(32),7,9,11,13,15,17,19(30),20,22,24,26-pentadecaene
CID 102320160
2-[[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethyl thiocyanate
CID 165344518

Frequently Asked Questions

What is the IUPAC name of 2,6-ditert-butyl-4-(5-ethylsulfanyl-1,3,4-oxadiazol-2-yl)phenol?
The IUPAC name of 2,6-ditert-butyl-4-(5-ethylsulfanyl-1,3,4-oxadiazol-2-yl)phenol (CID 135419252) is 2,6-ditert-butyl-4-(5-ethylsulfanyl-1,3,4-oxadiazol-2-yl)phenol.
What is the SMILES notation for 2,6-ditert-butyl-4-(5-ethylsulfanyl-1,3,4-oxadiazol-2-yl)phenol?
The canonical SMILES for 2,6-ditert-butyl-4-(5-ethylsulfanyl-1,3,4-oxadiazol-2-yl)phenol is CCSc1nnc(-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-ethylsulfanyl-1,3,4-oxadiazol-2-yl)phenol?
The InChIKey is MIOCGGZLPFHSEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2S/c1-8-23-16-20-19-15(22-16)11-9-12(17(2,3)4)14(21)13(10-11)18(5,6)7/h9-10,21H,8H2,1-7H3.
What are the key properties of 2,6-ditert-butyl-4-(5-ethylsulfanyl-1,3,4-oxadiazol-2-yl)phenol?
2,6-ditert-butyl-4-(5-ethylsulfanyl-1,3,4-oxadiazol-2-yl)phenol has a molecular weight of 334.49 g/mol, XLogP of 5.15, 3 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-ethylsulfanyl-1,3,4-oxadiazol-2-yl)phenol is sourced from PubChem (CID 135419252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).