2,6-ditert-butyl-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]phenol

C23H28N2O2 — CID 136694941

IUPAC2,6-ditert-butyl-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]phenol
SMILESCc1ccccc1-c1nnc(-c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)o1
InChIInChI=1S/C23H28N2O2/c1-14-10-8-9-11-16(14)21-25-24-20(27-21)15-12-17(22(2,3)4)19(26)18(13-15)23(5,6)7/h8-13,26H,1-7H3
InChIKeyXOKRNIYXXAYDEE-UHFFFAOYSA-N
MW364.49 g/mol
LogP6.01
Rot. Bonds2

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

2,6-ditert-butyl-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]phenol (PubChem CID 136694941) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is 2,6-ditert-butyl-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]phenol.

Molecular Properties

Compound Name2,6-ditert-butyl-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]phenol
PubChem CID136694941
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC Name2,6-ditert-butyl-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]phenol
SMILESCc1ccccc1-c1nnc(-c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)o1
InChIInChI=1S/C23H28N2O2/c1-14-10-8-9-11-16(14)21-25-24-20(27-21)15-12-17(22(2,3)4)19(26)18(13-15)23(5,6)7/h8-13,26H,1-7H3
InChIKeyXOKRNIYXXAYDEE-UHFFFAOYSA-N
XLogP6.01
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.49
LogP ≤ 56.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(5-Amino-[1,3,4]oxadiazol-2-yl)-2,6-di-tert-butyl-phenol
CID 135449130
2-(4-Methoxyphenyl)-5-(2-naphthyl)-1,3,4-oxadiazole
CID 96848
Phenol, 2-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-
CID 706782
3-(4-(5-(3-Cyano-4-isopropoxyphenyl)-1,3,4-oxadiazol-2-yl)-3-methylphenyl)propanoic acid
CID 44412621
4-[3-(5-{3-Cyano-4-[(1-methylethyl)oxy]phenyl}-1,3,4-oxadiazol-2-yl)-2-ethylphenyl]butanoic acid
CID 49848655
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
4-[5-(4-Iodophenyl)-1,3,4-oxadiazol-2-yl]phenol
CID 135971468
2,5-Bis(4-methoxyphenyl)-1,3,4-oxadiazole
CID 70059
2-(4-Methoxyphenyl)-5-(1-naphthyl)-1,3,4-oxadiazole
CID 96847
2,6-Di-tert-butyl-4-(5-ethylsulfanyl-[1,3,4]oxadiazol-2-yl)-phenol
CID 135419252

Frequently Asked Questions

What is the IUPAC name of 2,6-ditert-butyl-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]phenol?
The IUPAC name of 2,6-ditert-butyl-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]phenol (CID 136694941) is 2,6-ditert-butyl-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]phenol.
What is the SMILES notation for 2,6-ditert-butyl-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]phenol?
The canonical SMILES for 2,6-ditert-butyl-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]phenol is Cc1ccccc1-c1nnc(-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-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]phenol?
The InChIKey is XOKRNIYXXAYDEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O2/c1-14-10-8-9-11-16(14)21-25-24-20(27-21)15-12-17(22(2,3)4)19(26)18(13-15)23(5,6)7/h8-13,26H,1-7H3.
What are the key properties of 2,6-ditert-butyl-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]phenol?
2,6-ditert-butyl-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]phenol has a molecular weight of 364.49 g/mol, XLogP of 6.01, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-ditert-butyl-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]phenol is sourced from PubChem (CID 136694941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).