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

C18H27N3O2 — CID 135524538

IUPAC2,6-ditert-butyl-4-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]phenol
SMILESCN(C)c1noc(-c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)n1
InChIInChI=1S/C18H27N3O2/c1-17(2,3)12-9-11(10-13(14(12)22)18(4,5)6)15-19-16(20-23-15)21(7)8/h9-10,22H,1-8H3
InChIKeyCFGIPOLINHGGNP-UHFFFAOYSA-N
MW317.43 g/mol
LogP4.10
Rot. Bonds2

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

2,6-ditert-butyl-4-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]phenol (PubChem CID 135524538) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is 2,6-ditert-butyl-4-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]phenol.

Molecular Properties

Compound Name2,6-ditert-butyl-4-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]phenol
PubChem CID135524538
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name2,6-ditert-butyl-4-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]phenol
SMILESCN(C)c1noc(-c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)n1
InChIInChI=1S/C18H27N3O2/c1-17(2,3)12-9-11(10-13(14(12)22)18(4,5)6)15-19-16(20-23-15)21(7)8/h9-10,22H,1-8H3
InChIKeyCFGIPOLINHGGNP-UHFFFAOYSA-N
XLogP4.10
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,6-ditert-butyl-4-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]phenol?
The IUPAC name of 2,6-ditert-butyl-4-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]phenol (CID 135524538) is 2,6-ditert-butyl-4-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]phenol.
What is the SMILES notation for 2,6-ditert-butyl-4-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]phenol?
The canonical SMILES for 2,6-ditert-butyl-4-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]phenol is CN(C)c1noc(-c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)n1.
What is the InChIKey of 2,6-ditert-butyl-4-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]phenol?
The InChIKey is CFGIPOLINHGGNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-17(2,3)12-9-11(10-13(14(12)22)18(4,5)6)15-19-16(20-23-15)21(7)8/h9-10,22H,1-8H3.
What are the key properties of 2,6-ditert-butyl-4-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]phenol?
2,6-ditert-butyl-4-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]phenol has a molecular weight of 317.43 g/mol, XLogP of 4.10, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-ditert-butyl-4-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]phenol is sourced from PubChem (CID 135524538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).