4-(5-amino-1,3,4-oxadiazol-2-yl)-2,6-ditert-butylphenol

C16H23N3O2 — CID 135449130

IUPAC4-(5-amino-1,3,4-oxadiazol-2-yl)-2,6-ditert-butylphenol
SMILESCC(C)(C)c1cc(-c2nnc(N)o2)cc(C(C)(C)C)c1O
InChIInChI=1S/C16H23N3O2/c1-15(2,3)10-7-9(13-18-19-14(17)21-13)8-11(12(10)20)16(4,5)6/h7-8,20H,1-6H3,(H2,17,19)
InChIKeyOOVHHKGUYIOJJX-UHFFFAOYSA-N
MW289.38 g/mol
LogP3.62
Rot. Bonds1

About 4-(5-amino-1,3,4-oxadiazol-2-yl)-2,6-ditert-butylphenol

4-(5-amino-1,3,4-oxadiazol-2-yl)-2,6-ditert-butylphenol (PubChem CID 135449130) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 4-(5-amino-1,3,4-oxadiazol-2-yl)-2,6-ditert-butylphenol.

Molecular Properties

Compound Name4-(5-amino-1,3,4-oxadiazol-2-yl)-2,6-ditert-butylphenol
PubChem CID135449130
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name4-(5-amino-1,3,4-oxadiazol-2-yl)-2,6-ditert-butylphenol
SMILESCC(C)(C)c1cc(-c2nnc(N)o2)cc(C(C)(C)C)c1O
InChIInChI=1S/C16H23N3O2/c1-15(2,3)10-7-9(13-18-19-14(17)21-13)8-11(12(10)20)16(4,5)6/h7-8,20H,1-6H3,(H2,17,19)
InChIKeyOOVHHKGUYIOJJX-UHFFFAOYSA-N
XLogP3.62
TPSA85.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-Methoxyphenyl)-1,3,4-oxadiazol-2-amine
CID 679504
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
N-[5-(3,5-Di-tert-butyl-4-hydroxy-phenyl)-[1,3,4]oxadiazol-2-yl]-guanidine
CID 135786539
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

Frequently Asked Questions

What is the IUPAC name of 4-(5-amino-1,3,4-oxadiazol-2-yl)-2,6-ditert-butylphenol?
The IUPAC name of 4-(5-amino-1,3,4-oxadiazol-2-yl)-2,6-ditert-butylphenol (CID 135449130) is 4-(5-amino-1,3,4-oxadiazol-2-yl)-2,6-ditert-butylphenol.
What is the SMILES notation for 4-(5-amino-1,3,4-oxadiazol-2-yl)-2,6-ditert-butylphenol?
The canonical SMILES for 4-(5-amino-1,3,4-oxadiazol-2-yl)-2,6-ditert-butylphenol is CC(C)(C)c1cc(-c2nnc(N)o2)cc(C(C)(C)C)c1O.
What is the InChIKey of 4-(5-amino-1,3,4-oxadiazol-2-yl)-2,6-ditert-butylphenol?
The InChIKey is OOVHHKGUYIOJJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-15(2,3)10-7-9(13-18-19-14(17)21-13)8-11(12(10)20)16(4,5)6/h7-8,20H,1-6H3,(H2,17,19).
What are the key properties of 4-(5-amino-1,3,4-oxadiazol-2-yl)-2,6-ditert-butylphenol?
4-(5-amino-1,3,4-oxadiazol-2-yl)-2,6-ditert-butylphenol has a molecular weight of 289.38 g/mol, XLogP of 3.62, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-amino-1,3,4-oxadiazol-2-yl)-2,6-ditert-butylphenol is sourced from PubChem (CID 135449130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).