4-tert-butyl-5-phenyl-1,3-oxazole

C13H15NO — CID 23542020

IUPAC4-tert-butyl-5-phenyl-1,3-oxazole
SMILESCC(C)(C)c1ncoc1-c1ccccc1
InChIInChI=1S/C13H15NO/c1-13(2,3)12-11(15-9-14-12)10-7-5-4-6-8-10/h4-9H,1-3H3
InChIKeyUILCQEGEQAGRRF-UHFFFAOYSA-N
MW201.27 g/mol
LogP3.64
Rot. Bonds1

About 4-tert-butyl-5-phenyl-1,3-oxazole

4-tert-butyl-5-phenyl-1,3-oxazole (PubChem CID 23542020) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is 4-tert-butyl-5-phenyl-1,3-oxazole.

Molecular Properties

Compound Name4-tert-butyl-5-phenyl-1,3-oxazole
PubChem CID23542020
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name4-tert-butyl-5-phenyl-1,3-oxazole
SMILESCC(C)(C)c1ncoc1-c1ccccc1
InChIInChI=1S/C13H15NO/c1-13(2,3)12-11(15-9-14-12)10-7-5-4-6-8-10/h4-9H,1-3H3
InChIKeyUILCQEGEQAGRRF-UHFFFAOYSA-N
XLogP3.64
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-tert-butyl-5-phenyl-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 4-tert-butyl-5-phenyl-1,3-oxazole?
The IUPAC name of 4-tert-butyl-5-phenyl-1,3-oxazole (CID 23542020) is 4-tert-butyl-5-phenyl-1,3-oxazole.
What is the SMILES notation for 4-tert-butyl-5-phenyl-1,3-oxazole?
The canonical SMILES for 4-tert-butyl-5-phenyl-1,3-oxazole is CC(C)(C)c1ncoc1-c1ccccc1.
What is the InChIKey of 4-tert-butyl-5-phenyl-1,3-oxazole?
The InChIKey is UILCQEGEQAGRRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO/c1-13(2,3)12-11(15-9-14-12)10-7-5-4-6-8-10/h4-9H,1-3H3.
What are the key properties of 4-tert-butyl-5-phenyl-1,3-oxazole?
4-tert-butyl-5-phenyl-1,3-oxazole has a molecular weight of 201.27 g/mol, XLogP of 3.64, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-5-phenyl-1,3-oxazole is sourced from PubChem (CID 23542020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).