2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenol

C11H13NO2 — CID 3074828

IUPAC2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenol
SMILESCC1(C)COC(c2ccccc2O)=N1
InChIInChI=1S/C11H13NO2/c1-11(2)7-14-10(12-11)8-5-3-4-6-9(8)13/h3-6,13H,7H2,1-2H3
InChIKeyUWRIOIUJRZKJSZ-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.95
Rot. Bonds1

About 2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenol

2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenol (PubChem CID 3074828) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is 2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenol.

Molecular Properties

Compound Name2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenol
PubChem CID3074828
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenol
SMILESCC1(C)COC(c2ccccc2O)=N1
InChIInChI=1S/C11H13NO2/c1-11(2)7-14-10(12-11)8-5-3-4-6-9(8)13/h3-6,13H,7H2,1-2H3
InChIKeyUWRIOIUJRZKJSZ-UHFFFAOYSA-N
XLogP1.95
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenol?
The IUPAC name of 2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenol (CID 3074828) is 2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenol.
What is the SMILES notation for 2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenol?
The canonical SMILES for 2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenol is CC1(C)COC(c2ccccc2O)=N1.
What is the InChIKey of 2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenol?
The InChIKey is UWRIOIUJRZKJSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c1-11(2)7-14-10(12-11)8-5-3-4-6-9(8)13/h3-6,13H,7H2,1-2H3.
What are the key properties of 2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenol?
2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenol has a molecular weight of 191.23 g/mol, XLogP of 1.95, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenol is sourced from PubChem (CID 3074828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).