2,6-ditert-butyl-4-[4-[2-[3-[(dimethylamino)methyl]phenoxy]ethyl]-1,3-oxazol-2-yl]phenol

C28H38N2O3 — CID 135725033

IUPAC2,6-ditert-butyl-4-[4-[2-[3-[(dimethylamino)methyl]phenoxy]ethyl]-1,3-oxazol-2-yl]phenol
SMILESCN(C)Cc1cccc(OCCc2coc(-c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)n2)c1
InChIInChI=1S/C28H38N2O3/c1-27(2,3)23-15-20(16-24(25(23)31)28(4,5)6)26-29-21(18-33-26)12-13-32-22-11-9-10-19(14-22)17-30(7)8/h9-11,14-16,18,31H,12-13,17H2,1-8H3
InChIKeyZIZCYJASRMAGNI-UHFFFAOYSA-N
MW450.62 g/mol
LogP6.33
Rot. Bonds7

About 2,6-ditert-butyl-4-[4-[2-[3-[(dimethylamino)methyl]phenoxy]ethyl]-1,3-oxazol-2-yl]phenol

2,6-ditert-butyl-4-[4-[2-[3-[(dimethylamino)methyl]phenoxy]ethyl]-1,3-oxazol-2-yl]phenol (PubChem CID 135725033) has the molecular formula C28H38N2O3 and a molecular weight of 450.62 g/mol. Its IUPAC name is 2,6-ditert-butyl-4-[4-[2-[3-[(dimethylamino)methyl]phenoxy]ethyl]-1,3-oxazol-2-yl]phenol.

Molecular Properties

Compound Name2,6-ditert-butyl-4-[4-[2-[3-[(dimethylamino)methyl]phenoxy]ethyl]-1,3-oxazol-2-yl]phenol
PubChem CID135725033
Molecular FormulaC28H38N2O3
Molecular Weight450.62 g/mol
Exact Mass450.29
IUPAC Name2,6-ditert-butyl-4-[4-[2-[3-[(dimethylamino)methyl]phenoxy]ethyl]-1,3-oxazol-2-yl]phenol
SMILESCN(C)Cc1cccc(OCCc2coc(-c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)n2)c1
InChIInChI=1S/C28H38N2O3/c1-27(2,3)23-15-20(16-24(25(23)31)28(4,5)6)26-29-21(18-33-26)12-13-32-22-11-9-10-19(14-22)17-30(7)8/h9-11,14-16,18,31H,12-13,17H2,1-8H3
InChIKeyZIZCYJASRMAGNI-UHFFFAOYSA-N
XLogP6.33
TPSA58.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.62
LogP ≤ 56.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,6-ditert-butyl-4-[4-[2-[4-[(dimethylamino)methyl]phenoxy]ethyl]-1,3-oxazol-2-yl]phenol;dihydrate;hydrochloride
CID 135853158
2,6-ditert-butyl-4-[4-[2-(1,2,3,4-tetrahydroisoquinolin-6-yloxy)ethyl]-1,3-oxazol-2-yl]phenol
CID 135725145
4-[2-[3-(bromomethyl)phenoxy]ethyl]-2-phenyl-1,3-oxazole
CID 18617241
2-[[4-[2-[2-(3,5-ditert-butyl-4-methoxyphenyl)-1,3-oxazol-4-yl]ethoxy]phenyl]methyl-(2-hydroxyethyl)amino]ethanol
CID 57228738
3-[2-(3,5-ditert-butyl-4-hydroxyphenyl)-1,3-oxazol-4-yl]propanenitrile
CID 135725108
N-[[2-[2-[2-(3,5-ditert-butyl-4-methoxyphenyl)-1,3-oxazol-4-yl]ethoxy]phenyl]methyl]-N-methylethanamine
CID 67554465
2,6-ditert-butyl-4-[4-[2-[2-[2-(ethylamino)ethyl]-4-methylphenoxy]ethyl]-1,3-oxazol-2-yl]phenol
CID 139893607
2,6-ditert-butyl-4-[4-[2-(2-chloro-4-methylphenoxy)ethyl]-1,3-oxazol-2-yl]phenol;N-methylethanamine;hydrochloride
CID 135725116
N-[[4-[2-[2-(3,5-dimethoxy-4-phenylmethoxyphenyl)-1,3-oxazol-4-yl]ethoxy]phenyl]methyl]-N-methylethanamine
CID 54398589
2-(2-tert-butylphenyl)-4-[2-(4-methylphenoxy)ethyl]-1,3-oxazole
CID 18515879
[(2R)-1-[[3-[2-(2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]pyrrolidine-2-carbonyl]oxidanium
CID 145482250
N,N-dimethyl-1-[3-(3-methylbutoxy)phenyl]methanamine
CID 142090571

Frequently Asked Questions

What is the IUPAC name of 2,6-ditert-butyl-4-[4-[2-[3-[(dimethylamino)methyl]phenoxy]ethyl]-1,3-oxazol-2-yl]phenol?
The IUPAC name of 2,6-ditert-butyl-4-[4-[2-[3-[(dimethylamino)methyl]phenoxy]ethyl]-1,3-oxazol-2-yl]phenol (CID 135725033) is 2,6-ditert-butyl-4-[4-[2-[3-[(dimethylamino)methyl]phenoxy]ethyl]-1,3-oxazol-2-yl]phenol.
What is the SMILES notation for 2,6-ditert-butyl-4-[4-[2-[3-[(dimethylamino)methyl]phenoxy]ethyl]-1,3-oxazol-2-yl]phenol?
The canonical SMILES for 2,6-ditert-butyl-4-[4-[2-[3-[(dimethylamino)methyl]phenoxy]ethyl]-1,3-oxazol-2-yl]phenol is CN(C)Cc1cccc(OCCc2coc(-c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)n2)c1.
What is the InChIKey of 2,6-ditert-butyl-4-[4-[2-[3-[(dimethylamino)methyl]phenoxy]ethyl]-1,3-oxazol-2-yl]phenol?
The InChIKey is ZIZCYJASRMAGNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38N2O3/c1-27(2,3)23-15-20(16-24(25(23)31)28(4,5)6)26-29-21(18-33-26)12-13-32-22-11-9-10-19(14-22)17-30(7)8/h9-11,14-16,18,31H,12-13,17H2,1-8H3.
What are the key properties of 2,6-ditert-butyl-4-[4-[2-[3-[(dimethylamino)methyl]phenoxy]ethyl]-1,3-oxazol-2-yl]phenol?
2,6-ditert-butyl-4-[4-[2-[3-[(dimethylamino)methyl]phenoxy]ethyl]-1,3-oxazol-2-yl]phenol has a molecular weight of 450.62 g/mol, XLogP of 6.33, 7 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-[4-[2-[3-[(dimethylamino)methyl]phenoxy]ethyl]-1,3-oxazol-2-yl]phenol is sourced from PubChem (CID 135725033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).