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

C11H13NO2 — CID 13307489

IUPAC1-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)ethanol
SMILESCC(O)C1CC(c2ccccc2)=NO1
InChIInChI=1S/C11H13NO2/c1-8(13)11-7-10(12-14-11)9-5-3-2-4-6-9/h2-6,8,11,13H,7H2,1H3
InChIKeyQKHZHBZGPDGOAG-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.56
Rot. Bonds2

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

1-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)ethanol (PubChem CID 13307489) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is 1-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)ethanol.

Molecular Properties

Compound Name1-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)ethanol
PubChem CID13307489
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name1-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)ethanol
SMILESCC(O)C1CC(c2ccccc2)=NO1
InChIInChI=1S/C11H13NO2/c1-8(13)11-7-10(12-14-11)9-5-3-2-4-6-9/h2-6,8,11,13H,7H2,1H3
InChIKeyQKHZHBZGPDGOAG-UHFFFAOYSA-N
XLogP1.56
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)ethanol?
The IUPAC name of 1-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)ethanol (CID 13307489) is 1-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)ethanol.
What is the SMILES notation for 1-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)ethanol?
The canonical SMILES for 1-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)ethanol is CC(O)C1CC(c2ccccc2)=NO1.
What is the InChIKey of 1-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)ethanol?
The InChIKey is QKHZHBZGPDGOAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c1-8(13)11-7-10(12-14-11)9-5-3-2-4-6-9/h2-6,8,11,13H,7H2,1H3.
What are the key properties of 1-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)ethanol?
1-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)ethanol has a molecular weight of 191.23 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)ethanol is sourced from PubChem (CID 13307489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).