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

C11H11NO2 — CID 115087081

IUPAC1-(2-phenyl-1,3-oxazol-5-yl)ethanol
SMILESCC(O)c1cnc(-c2ccccc2)o1
InChIInChI=1S/C11H11NO2/c1-8(13)10-7-12-11(14-10)9-5-3-2-4-6-9/h2-8,13H,1H3
InChIKeyJGOYCAGJXZTEKX-UHFFFAOYSA-N
MW189.21 g/mol
LogP2.39
Rot. Bonds2

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

1-(2-phenyl-1,3-oxazol-5-yl)ethanol (PubChem CID 115087081) has the molecular formula C11H11NO2 and a molecular weight of 189.21 g/mol. Its IUPAC name is 1-(2-phenyl-1,3-oxazol-5-yl)ethanol.

Molecular Properties

Compound Name1-(2-phenyl-1,3-oxazol-5-yl)ethanol
PubChem CID115087081
Molecular FormulaC11H11NO2
Molecular Weight189.21 g/mol
Exact Mass189.08
IUPAC Name1-(2-phenyl-1,3-oxazol-5-yl)ethanol
SMILESCC(O)c1cnc(-c2ccccc2)o1
InChIInChI=1S/C11H11NO2/c1-8(13)10-7-12-11(14-10)9-5-3-2-4-6-9/h2-8,13H,1H3
InChIKeyJGOYCAGJXZTEKX-UHFFFAOYSA-N
XLogP2.39
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-phenyl-1,3-oxazol-5-yl)ethanol?
The IUPAC name of 1-(2-phenyl-1,3-oxazol-5-yl)ethanol (CID 115087081) is 1-(2-phenyl-1,3-oxazol-5-yl)ethanol.
What is the SMILES notation for 1-(2-phenyl-1,3-oxazol-5-yl)ethanol?
The canonical SMILES for 1-(2-phenyl-1,3-oxazol-5-yl)ethanol is CC(O)c1cnc(-c2ccccc2)o1.
What is the InChIKey of 1-(2-phenyl-1,3-oxazol-5-yl)ethanol?
The InChIKey is JGOYCAGJXZTEKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2/c1-8(13)10-7-12-11(14-10)9-5-3-2-4-6-9/h2-8,13H,1H3.
What are the key properties of 1-(2-phenyl-1,3-oxazol-5-yl)ethanol?
1-(2-phenyl-1,3-oxazol-5-yl)ethanol has a molecular weight of 189.21 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenyl-1,3-oxazol-5-yl)ethanol is sourced from PubChem (CID 115087081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).