3-phenyl-4,5-dihydro-1,2-oxazol-5-ol

C9H9NO2 — CID 12684527

IUPAC3-phenyl-4,5-dihydro-1,2-oxazol-5-ol
SMILESOC1CC(c2ccccc2)=NO1
InChIInChI=1S/C9H9NO2/c11-9-6-8(10-12-9)7-4-2-1-3-5-7/h1-5,9,11H,6H2
InChIKeyFTBLUWIRHHICSD-UHFFFAOYSA-N
MW163.18 g/mol
LogP1.13
Rot. Bonds1

About 3-phenyl-4,5-dihydro-1,2-oxazol-5-ol

3-phenyl-4,5-dihydro-1,2-oxazol-5-ol (PubChem CID 12684527) has the molecular formula C9H9NO2 and a molecular weight of 163.18 g/mol. Its IUPAC name is 3-phenyl-4,5-dihydro-1,2-oxazol-5-ol.

Molecular Properties

Compound Name3-phenyl-4,5-dihydro-1,2-oxazol-5-ol
PubChem CID12684527
Molecular FormulaC9H9NO2
Molecular Weight163.18 g/mol
Exact Mass163.06
IUPAC Name3-phenyl-4,5-dihydro-1,2-oxazol-5-ol
SMILESOC1CC(c2ccccc2)=NO1
InChIInChI=1S/C9H9NO2/c11-9-6-8(10-12-9)7-4-2-1-3-5-7/h1-5,9,11H,6H2
InChIKeyFTBLUWIRHHICSD-UHFFFAOYSA-N
XLogP1.13
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-phenyl-4,5-dihydro-1,2-oxazol-5-ol 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 3-phenyl-4,5-dihydro-1,2-oxazol-5-ol?
The IUPAC name of 3-phenyl-4,5-dihydro-1,2-oxazol-5-ol (CID 12684527) is 3-phenyl-4,5-dihydro-1,2-oxazol-5-ol.
What is the SMILES notation for 3-phenyl-4,5-dihydro-1,2-oxazol-5-ol?
The canonical SMILES for 3-phenyl-4,5-dihydro-1,2-oxazol-5-ol is OC1CC(c2ccccc2)=NO1.
What is the InChIKey of 3-phenyl-4,5-dihydro-1,2-oxazol-5-ol?
The InChIKey is FTBLUWIRHHICSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO2/c11-9-6-8(10-12-9)7-4-2-1-3-5-7/h1-5,9,11H,6H2.
What are the key properties of 3-phenyl-4,5-dihydro-1,2-oxazol-5-ol?
3-phenyl-4,5-dihydro-1,2-oxazol-5-ol has a molecular weight of 163.18 g/mol, XLogP of 1.13, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-4,5-dihydro-1,2-oxazol-5-ol is sourced from PubChem (CID 12684527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).