2-[5-(3,5-ditert-butyl-4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]guanidine

C17H25N5O2 — CID 135786539

IUPAC2-[5-(3,5-ditert-butyl-4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]guanidine
SMILESCC(C)(C)c1cc(-c2nnc(N=C(N)N)o2)cc(C(C)(C)C)c1O
InChIInChI=1S/C17H25N5O2/c1-16(2,3)10-7-9(8-11(12(10)23)17(4,5)6)13-21-22-15(24-13)20-14(18)19/h7-8,23H,1-6H3,(H4,18,19,20,22)
InChIKeyGGNKIZROYJYQFI-UHFFFAOYSA-N
MW331.42 g/mol
LogP2.94
Rot. Bonds2

About 2-[5-(3,5-ditert-butyl-4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]guanidine

2-[5-(3,5-ditert-butyl-4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]guanidine (PubChem CID 135786539) has the molecular formula C17H25N5O2 and a molecular weight of 331.42 g/mol. Its IUPAC name is 2-[5-(3,5-ditert-butyl-4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]guanidine.

Molecular Properties

Compound Name2-[5-(3,5-ditert-butyl-4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]guanidine
PubChem CID135786539
Molecular FormulaC17H25N5O2
Molecular Weight331.42 g/mol
Exact Mass331.20
IUPAC Name2-[5-(3,5-ditert-butyl-4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]guanidine
SMILESCC(C)(C)c1cc(-c2nnc(N=C(N)N)o2)cc(C(C)(C)C)c1O
InChIInChI=1S/C17H25N5O2/c1-16(2,3)10-7-9(8-11(12(10)23)17(4,5)6)13-21-22-15(24-13)20-14(18)19/h7-8,23H,1-6H3,(H4,18,19,20,22)
InChIKeyGGNKIZROYJYQFI-UHFFFAOYSA-N
XLogP2.94
TPSA123.55 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

4-(5-Amino-[1,3,4]oxadiazol-2-yl)-2,6-di-tert-butyl-phenol
CID 135449130
5-(3,5-Di-tert-butyl-4-hydroxy-phenyl)-[1,3,4]oxadiazol-2-yl-cyanamide
CID 135786528
2,6-Di-tert-butyl-4-(5-methylsulfanyl-[1,3,4]oxadiazol-2-yl)-phenol
CID 135786531
2,6-Di-tert-butyl-4-(5-ethylsulfanyl-[1,3,4]oxadiazol-2-yl)-phenol
CID 135419252
2,6-Di-tert-butyl-4-(5-propylsulfanyl-[1,3,4]oxadiazol-2-yl)-phenol
CID 135461834
4-[5-[2-(4-Tert-butylphenyl)ethyl]-1,3,4-oxadiazol-2-yl]phenol
CID 145975715
4-(5-Amino-1,3,4-oxadiazol-2-YL)phenol
CID 3757781
4-[5-(4-Tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenol
CID 136405978
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
2,6-Ditert-butyl-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]phenol
CID 136694941
4-(5-Decyl-1,3,4-oxadiazol-2-yl)phenol
CID 135778489

Frequently Asked Questions

What is the IUPAC name of 2-[5-(3,5-ditert-butyl-4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]guanidine?
The IUPAC name of 2-[5-(3,5-ditert-butyl-4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]guanidine (CID 135786539) is 2-[5-(3,5-ditert-butyl-4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]guanidine.
What is the SMILES notation for 2-[5-(3,5-ditert-butyl-4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]guanidine?
The canonical SMILES for 2-[5-(3,5-ditert-butyl-4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]guanidine is CC(C)(C)c1cc(-c2nnc(N=C(N)N)o2)cc(C(C)(C)C)c1O.
What is the InChIKey of 2-[5-(3,5-ditert-butyl-4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]guanidine?
The InChIKey is GGNKIZROYJYQFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O2/c1-16(2,3)10-7-9(8-11(12(10)23)17(4,5)6)13-21-22-15(24-13)20-14(18)19/h7-8,23H,1-6H3,(H4,18,19,20,22).
What are the key properties of 2-[5-(3,5-ditert-butyl-4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]guanidine?
2-[5-(3,5-ditert-butyl-4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]guanidine has a molecular weight of 331.42 g/mol, XLogP of 2.94, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3,5-ditert-butyl-4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]guanidine is sourced from PubChem (CID 135786539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).