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

C17H24N2O2 — CID 135527032

IUPAC2,6-ditert-butyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenol
SMILESCc1nc(-c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)no1
InChIInChI=1S/C17H24N2O2/c1-10-18-15(19-21-10)11-8-12(16(2,3)4)14(20)13(9-11)17(5,6)7/h8-9,20H,1-7H3
InChIKeyPSMKRXKATCRNGD-UHFFFAOYSA-N
MW288.39 g/mol
LogP4.35
Rot. Bonds1

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

2,6-ditert-butyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenol (PubChem CID 135527032) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 2,6-ditert-butyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenol.

Molecular Properties

Compound Name2,6-ditert-butyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenol
PubChem CID135527032
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name2,6-ditert-butyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenol
SMILESCc1nc(-c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)no1
InChIInChI=1S/C17H24N2O2/c1-10-18-15(19-21-10)11-8-12(16(2,3)4)14(20)13(9-11)17(5,6)7/h8-9,20H,1-7H3
InChIKeyPSMKRXKATCRNGD-UHFFFAOYSA-N
XLogP4.35
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,6-ditert-butyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenol?
The IUPAC name of 2,6-ditert-butyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenol (CID 135527032) is 2,6-ditert-butyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenol.
What is the SMILES notation for 2,6-ditert-butyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenol?
The canonical SMILES for 2,6-ditert-butyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenol is Cc1nc(-c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)no1.
What is the InChIKey of 2,6-ditert-butyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenol?
The InChIKey is PSMKRXKATCRNGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-10-18-15(19-21-10)11-8-12(16(2,3)4)14(20)13(9-11)17(5,6)7/h8-9,20H,1-7H3.
What are the key properties of 2,6-ditert-butyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenol?
2,6-ditert-butyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenol has a molecular weight of 288.39 g/mol, XLogP of 4.35, 1 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-methyl-1,2,4-oxadiazol-3-yl)phenol is sourced from PubChem (CID 135527032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).