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

C23H28N2O3 — CID 135981466

IUPAC2,4-ditert-butyl-6-[5-[(2-hydroxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]phenol
SMILESCC(C)(C)c1cc(-c2noc(Cc3ccccc3O)n2)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C23H28N2O3/c1-22(2,3)15-12-16(20(27)17(13-15)23(4,5)6)21-24-19(28-25-21)11-14-9-7-8-10-18(14)26/h7-10,12-13,26-27H,11H2,1-6H3
InChIKeyBNVAIJSHVOFREA-UHFFFAOYSA-N
MW380.49 g/mol
LogP5.33
Rot. Bonds3

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

2,4-ditert-butyl-6-[5-[(2-hydroxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]phenol (PubChem CID 135981466) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is 2,4-ditert-butyl-6-[5-[(2-hydroxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]phenol.

Molecular Properties

Compound Name2,4-ditert-butyl-6-[5-[(2-hydroxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]phenol
PubChem CID135981466
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC Name2,4-ditert-butyl-6-[5-[(2-hydroxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]phenol
SMILESCC(C)(C)c1cc(-c2noc(Cc3ccccc3O)n2)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C23H28N2O3/c1-22(2,3)15-12-16(20(27)17(13-15)23(4,5)6)21-24-19(28-25-21)11-14-9-7-8-10-18(14)26/h7-10,12-13,26-27H,11H2,1-6H3
InChIKeyBNVAIJSHVOFREA-UHFFFAOYSA-N
XLogP5.33
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.49
LogP ≤ 55.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]phenol
CID 80740910
2-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]phenol
CID 80740466
2-[[3-(3-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]phenol
CID 107922223
2-[[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]phenol
CID 80741141
2-[[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]methyl]phenol
CID 116799871
2,4-ditert-butyl-6-[4-tert-butyl-6-(3,5-ditert-butyl-2-hydroxyphenyl)-2-pyridinyl]phenol
CID 136669231
2-[(3-butan-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenol
CID 80740766
2-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]phenol
CID 80740542
2-[5-(hydroxymethyl)-1,2,4-oxadiazol-3-yl]phenol
CID 137002934
2,4-ditert-butyl-6-[6-(2-fluorophenyl)-2-pyridinyl]phenol
CID 136790275
2-[5-[(2-hydroxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]acetaldehyde
CID 115078953
3-(3,5-ditert-butyl-2-hydroxyphenyl)chromen-2-one
CID 10405622

Frequently Asked Questions

What is the IUPAC name of 2,4-ditert-butyl-6-[5-[(2-hydroxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]phenol?
The IUPAC name of 2,4-ditert-butyl-6-[5-[(2-hydroxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]phenol (CID 135981466) is 2,4-ditert-butyl-6-[5-[(2-hydroxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]phenol.
What is the SMILES notation for 2,4-ditert-butyl-6-[5-[(2-hydroxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]phenol?
The canonical SMILES for 2,4-ditert-butyl-6-[5-[(2-hydroxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]phenol is CC(C)(C)c1cc(-c2noc(Cc3ccccc3O)n2)c(O)c(C(C)(C)C)c1.
What is the InChIKey of 2,4-ditert-butyl-6-[5-[(2-hydroxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]phenol?
The InChIKey is BNVAIJSHVOFREA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3/c1-22(2,3)15-12-16(20(27)17(13-15)23(4,5)6)21-24-19(28-25-21)11-14-9-7-8-10-18(14)26/h7-10,12-13,26-27H,11H2,1-6H3.
What are the key properties of 2,4-ditert-butyl-6-[5-[(2-hydroxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]phenol?
2,4-ditert-butyl-6-[5-[(2-hydroxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]phenol has a molecular weight of 380.49 g/mol, XLogP of 5.33, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-ditert-butyl-6-[5-[(2-hydroxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]phenol is sourced from PubChem (CID 135981466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).