[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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Related Compounds

4,4-Bis(hydroxymethyl)-2-phenyl-2-oxazoline
CID 254960
4,4-Dimethyl-2-phenyl-2-oxazoline
CID 289239
(4-Methyl-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl)methanol
CID 226853
4,4-Dimethyl-2-(4'-methyl-2-biphenylyl)-2-oxazoline
CID 688301
4,4-Dimethyl-2-(2-(methylseleno)phenyl)-2-oxazoline
CID 3517846
Oxazole, 2-(4-fluorophenyl)-4,5-dihydro-4,4-dimethyl-
CID 156132
2,2'-(1,2-Phenylene)bis(4,5-dihydro-1,3-oxazole)
CID 19354103
(2-Phenyl-4,5-dihydro-1,3-oxazol-4-yl)methanol
CID 338264
((4S,5S)-2-Phenyl-5-vinyl-4,5-dihydro-oxazol-4-yl)-methanol
CID 44394814
((4S,5S)-2-p-Tolyl-5-vinyl-4,5-dihydro-oxazol-4-yl)-methanol
CID 44394879
4-Oxazolemethanol, 4,5-dihydro-2-phenyl-, (4R)-
CID 11019399
4,4-dimethyl-2-(4-methylphenyl)-5H-1,3-oxazole
CID 3694980

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).