3-hydroxy-2H-1,3-oxazole

C3H5NO2 — CID 18752780

IUPAC3-hydroxy-2H-1,3-oxazole
SMILESON1C=COC1
InChIInChI=1S/C3H5NO2/c5-4-1-2-6-3-4/h1-2,5H,3H2
InChIKeyRPBPVCDXQGKUMI-UHFFFAOYSA-N
MW87.08 g/mol
LogP0.14
Rot. Bonds

About 3-hydroxy-2H-1,3-oxazole

3-hydroxy-2H-1,3-oxazole (PubChem CID 18752780) has the molecular formula C3H5NO2 and a molecular weight of 87.08 g/mol. Its IUPAC name is 3-hydroxy-2H-1,3-oxazole.

Molecular Properties

Compound Name3-hydroxy-2H-1,3-oxazole
PubChem CID18752780
Molecular FormulaC3H5NO2
Molecular Weight87.08 g/mol
Exact Mass87.03
IUPAC Name3-hydroxy-2H-1,3-oxazole
SMILESON1C=COC1
InChIInChI=1S/C3H5NO2/c5-4-1-2-6-3-4/h1-2,5H,3H2
InChIKeyRPBPVCDXQGKUMI-UHFFFAOYSA-N
XLogP0.14
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50087.08
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-hydroxy-2H-1,3-oxazole 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-hydroxy-2H-1,3-oxazole?
The IUPAC name of 3-hydroxy-2H-1,3-oxazole (CID 18752780) is 3-hydroxy-2H-1,3-oxazole.
What is the SMILES notation for 3-hydroxy-2H-1,3-oxazole?
The canonical SMILES for 3-hydroxy-2H-1,3-oxazole is ON1C=COC1.
What is the InChIKey of 3-hydroxy-2H-1,3-oxazole?
The InChIKey is RPBPVCDXQGKUMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5NO2/c5-4-1-2-6-3-4/h1-2,5H,3H2.
What are the key properties of 3-hydroxy-2H-1,3-oxazole?
3-hydroxy-2H-1,3-oxazole has a molecular weight of 87.08 g/mol, XLogP of 0.14, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2H-1,3-oxazole is sourced from PubChem (CID 18752780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).