3-(4-tert-butylphenyl)-2H-1,2-oxazol-5-one

C13H15NO2 — CID 75359325

IUPAC3-(4-tert-butylphenyl)-2H-1,2-oxazol-5-one
SMILESCC(C)(C)c1ccc(-c2cc(=O)o[nH]2)cc1
InChIInChI=1S/C13H15NO2/c1-13(2,3)10-6-4-9(5-7-10)11-8-12(15)16-14-11/h4-8,14H,1-3H3
InChIKeyLUXCLFWVHHUENI-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.93
Rot. Bonds1

About 3-(4-tert-butylphenyl)-2H-1,2-oxazol-5-one

3-(4-tert-butylphenyl)-2H-1,2-oxazol-5-one (PubChem CID 75359325) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is 3-(4-tert-butylphenyl)-2H-1,2-oxazol-5-one.

Molecular Properties

Compound Name3-(4-tert-butylphenyl)-2H-1,2-oxazol-5-one
PubChem CID75359325
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name3-(4-tert-butylphenyl)-2H-1,2-oxazol-5-one
SMILESCC(C)(C)c1ccc(-c2cc(=O)o[nH]2)cc1
InChIInChI=1S/C13H15NO2/c1-13(2,3)10-6-4-9(5-7-10)11-8-12(15)16-14-11/h4-8,14H,1-3H3
InChIKeyLUXCLFWVHHUENI-UHFFFAOYSA-N
XLogP2.93
TPSA46.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(4-tert-butylphenyl)-2H-1,2-oxazol-5-one 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-(4-tert-butylphenyl)-2H-1,2-oxazol-5-one?
The IUPAC name of 3-(4-tert-butylphenyl)-2H-1,2-oxazol-5-one (CID 75359325) is 3-(4-tert-butylphenyl)-2H-1,2-oxazol-5-one.
What is the SMILES notation for 3-(4-tert-butylphenyl)-2H-1,2-oxazol-5-one?
The canonical SMILES for 3-(4-tert-butylphenyl)-2H-1,2-oxazol-5-one is CC(C)(C)c1ccc(-c2cc(=O)o[nH]2)cc1.
What is the InChIKey of 3-(4-tert-butylphenyl)-2H-1,2-oxazol-5-one?
The InChIKey is LUXCLFWVHHUENI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c1-13(2,3)10-6-4-9(5-7-10)11-8-12(15)16-14-11/h4-8,14H,1-3H3.
What are the key properties of 3-(4-tert-butylphenyl)-2H-1,2-oxazol-5-one?
3-(4-tert-butylphenyl)-2H-1,2-oxazol-5-one has a molecular weight of 217.27 g/mol, XLogP of 2.93, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butylphenyl)-2H-1,2-oxazol-5-one is sourced from PubChem (CID 75359325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).