3,5-dimethyl-4H-1,2-oxazol-5-ol

C5H9NO2 — CID 13429843

IUPAC3,5-dimethyl-4H-1,2-oxazol-5-ol
SMILESCC1=NOC(C)(O)C1
InChIInChI=1S/C5H9NO2/c1-4-3-5(2,7)8-6-4/h7H,3H2,1-2H3
InChIKeyONGOAFFLJJCZCD-UHFFFAOYSA-N
MW115.13 g/mol
LogP0.49
Rot. Bonds

About 3,5-dimethyl-4H-1,2-oxazol-5-ol

3,5-dimethyl-4H-1,2-oxazol-5-ol (PubChem CID 13429843) has the molecular formula C5H9NO2 and a molecular weight of 115.13 g/mol. Its IUPAC name is 3,5-dimethyl-4H-1,2-oxazol-5-ol.

Molecular Properties

Compound Name3,5-dimethyl-4H-1,2-oxazol-5-ol
PubChem CID13429843
Molecular FormulaC5H9NO2
Molecular Weight115.13 g/mol
Exact Mass115.06
IUPAC Name3,5-dimethyl-4H-1,2-oxazol-5-ol
SMILESCC1=NOC(C)(O)C1
InChIInChI=1S/C5H9NO2/c1-4-3-5(2,7)8-6-4/h7H,3H2,1-2H3
InChIKeyONGOAFFLJJCZCD-UHFFFAOYSA-N
XLogP0.49
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.13
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3,5-dimethyl-4H-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 3,5-dimethyl-4H-1,2-oxazol-5-ol?
The IUPAC name of 3,5-dimethyl-4H-1,2-oxazol-5-ol (CID 13429843) is 3,5-dimethyl-4H-1,2-oxazol-5-ol.
What is the SMILES notation for 3,5-dimethyl-4H-1,2-oxazol-5-ol?
The canonical SMILES for 3,5-dimethyl-4H-1,2-oxazol-5-ol is CC1=NOC(C)(O)C1.
What is the InChIKey of 3,5-dimethyl-4H-1,2-oxazol-5-ol?
The InChIKey is ONGOAFFLJJCZCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO2/c1-4-3-5(2,7)8-6-4/h7H,3H2,1-2H3.
What are the key properties of 3,5-dimethyl-4H-1,2-oxazol-5-ol?
3,5-dimethyl-4H-1,2-oxazol-5-ol has a molecular weight of 115.13 g/mol, XLogP of 0.49, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4H-1,2-oxazol-5-ol is sourced from PubChem (CID 13429843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).