2,6-ditert-butyl-4-(1,3-oxazol-4-yl)phenol

C17H23NO2 — CID 173339981

IUPAC2,6-ditert-butyl-4-(1,3-oxazol-4-yl)phenol
SMILESCC(C)(C)c1cc(-c2cocn2)cc(C(C)(C)C)c1O
InChIInChI=1S/C17H23NO2/c1-16(2,3)12-7-11(14-9-20-10-18-14)8-13(15(12)19)17(4,5)6/h7-10,19H,1-6H3
InChIKeyYWVLZXBXAVXPLN-UHFFFAOYSA-N
MW273.38 g/mol
LogP4.64
Rot. Bonds1

About 2,6-ditert-butyl-4-(1,3-oxazol-4-yl)phenol

2,6-ditert-butyl-4-(1,3-oxazol-4-yl)phenol (PubChem CID 173339981) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is 2,6-ditert-butyl-4-(1,3-oxazol-4-yl)phenol.

Molecular Properties

Compound Name2,6-ditert-butyl-4-(1,3-oxazol-4-yl)phenol
PubChem CID173339981
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name2,6-ditert-butyl-4-(1,3-oxazol-4-yl)phenol
SMILESCC(C)(C)c1cc(-c2cocn2)cc(C(C)(C)C)c1O
InChIInChI=1S/C17H23NO2/c1-16(2,3)12-7-11(14-9-20-10-18-14)8-13(15(12)19)17(4,5)6/h7-10,19H,1-6H3
InChIKeyYWVLZXBXAVXPLN-UHFFFAOYSA-N
XLogP4.64
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-tert-butyl-5-chloro-4-fluorophenyl)-1,3-oxazole
CID 164775361
4-(3-tert-butyl-4-methoxyphenyl)-1,3-oxazole
CID 82128672
4-[2,6-ditert-butyl-5-(1,3-oxazol-4-yl)naphthalen-1-yl]-1,3-oxazole
CID 169050055
2,6-ditert-butyl-4-(2-methyl-1,3-thiazol-4-yl)phenol
CID 2742347
2,6-ditert-butyl-4-(2-methylpyrazol-3-yl)phenol
CID 135964980
4-(3-amino-1H-1,2,4-triazol-5-yl)-2,6-ditert-butylphenol
CID 135492399
2,6-ditert-butyl-4-(1-propylpyrazol-3-yl)phenol
CID 135997365
benzene;2,6-ditert-butyl-4-phenylphenol
CID 175516792
4-[3,5-bis(3,5-ditert-butyl-4-hydroxyphenyl)-4-methylphenyl]-2,6-ditert-butylphenol
CID 141055802
4-[2-(aziridin-1-ylmethyl)-1,3-thiazol-4-yl]-2,6-ditert-butylphenol
CID 11256444
2,6-ditert-butyl-4-[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]phenol
CID 136694939
2,6-ditert-butyl-4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenol
CID 136694940

Frequently Asked Questions

What is the IUPAC name of 2,6-ditert-butyl-4-(1,3-oxazol-4-yl)phenol?
The IUPAC name of 2,6-ditert-butyl-4-(1,3-oxazol-4-yl)phenol (CID 173339981) is 2,6-ditert-butyl-4-(1,3-oxazol-4-yl)phenol.
What is the SMILES notation for 2,6-ditert-butyl-4-(1,3-oxazol-4-yl)phenol?
The canonical SMILES for 2,6-ditert-butyl-4-(1,3-oxazol-4-yl)phenol is CC(C)(C)c1cc(-c2cocn2)cc(C(C)(C)C)c1O.
What is the InChIKey of 2,6-ditert-butyl-4-(1,3-oxazol-4-yl)phenol?
The InChIKey is YWVLZXBXAVXPLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-16(2,3)12-7-11(14-9-20-10-18-14)8-13(15(12)19)17(4,5)6/h7-10,19H,1-6H3.
What are the key properties of 2,6-ditert-butyl-4-(1,3-oxazol-4-yl)phenol?
2,6-ditert-butyl-4-(1,3-oxazol-4-yl)phenol has a molecular weight of 273.38 g/mol, XLogP of 4.64, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-ditert-butyl-4-(1,3-oxazol-4-yl)phenol is sourced from PubChem (CID 173339981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).