CAS 103788-65-4|2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethanol|2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethan-1-ol|2-(5-Methyl-2-phenyl-1,3-oxazol-4-yl)ethan-1-ol|4-(2-Hydroxyethyl)-5-methyl-2-phenyl-1,3-...

General Information

Structure

Molecular Formula

C₁₂H₁₃NO₂

Molecular Mass

203.23712

Exact Mass

203.09462866

Charge

InChI

InChI=1S/C12H13NO2/c1-9-11(7-8-14)13-12(15-9)10-5-3-2-4-6-10/h2-6,14H,7-8H2,1H3

InChIKey

JYWHQBLLIBQGCU-UHFFFAOYSA-N

Canonic Smiles

OCCc1nc(oc1C)c1ccccc1

Isomeric Smiles

c1(oc(C)c(CCO)n1)c1ccccc1

Calculated Properties

JChem

Acid pKa

15.556079

H Acceptors

H Donor

LogD (pH = 5.5)

1.6905922

LogD (pH = 7.4)

1.6906035

Log P

1.6906036

Molar Refractivity

68.0118

Polarizability

22.569008

Polar Surface Area

46.26

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC Traditional name

2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethanol

IUPAC name

2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethan-1-ol

Synonyms

2-(5-Methyl-2-phenyl-1,3-oxazol-4-yl)ethan-1-ol4-(2-Hydroxyethyl)-5-methyl-2-phenyl-1,3-oxazole2-(5-Methyl-2-phenyloxazole-4-yl)ethanol5-Methyl-2-phenyl-oxazoleethanol2-(5-Methyl-2-phenyl-1,3-oxazol-4-yl)ethanol4-(2-Hydroxyethyl)-5-methyl-2-phenyloxazole2-(5-Methyl-2-phenyl-1,3-oxazol-4-yl)ethan-1-ol

Names and Identifiers

Registration numbers

CAS Number

MDL Number

PubChem SID

PubChem CID

Registration numbers

Properties