[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]methanol

C12H15NO2 — CID 2732888

IUPAC[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]methanol
SMILESCC1(C)COC(c2ccccc2CO)=N1
InChIInChI=1S/C12H15NO2/c1-12(2)8-15-11(13-12)10-6-4-3-5-9(10)7-14/h3-6,14H,7-8H2,1-2H3
InChIKeyTXNHZXWELNUONZ-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.73
Rot. Bonds2

About [2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]methanol

[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]methanol (PubChem CID 2732888) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is [2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]methanol.

Molecular Properties

Compound Name[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]methanol
PubChem CID2732888
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]methanol
SMILESCC1(C)COC(c2ccccc2CO)=N1
InChIInChI=1S/C12H15NO2/c1-12(2)8-15-11(13-12)10-6-4-3-5-9(10)7-14/h3-6,14H,7-8H2,1-2H3
InChIKeyTXNHZXWELNUONZ-UHFFFAOYSA-N
XLogP1.73
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.73
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)phenyl]methanol?
The IUPAC name of [2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]methanol (CID 2732888) is [2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]methanol.
What is the SMILES notation for [2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]methanol?
The canonical SMILES for [2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]methanol is CC1(C)COC(c2ccccc2CO)=N1.
What is the InChIKey of [2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]methanol?
The InChIKey is TXNHZXWELNUONZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-12(2)8-15-11(13-12)10-6-4-3-5-9(10)7-14/h3-6,14H,7-8H2,1-2H3.
What are the key properties of [2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]methanol?
[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]methanol has a molecular weight of 205.26 g/mol, XLogP of 1.73, 2 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)phenyl]methanol is sourced from PubChem (CID 2732888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).