2-(4-tert-butyl-3,5-dimethylfuran-2-yl)-4,4-dimethyl-5H-1,3-oxazole

C15H23NO2 — CID 14973108

IUPAC2-(4-tert-butyl-3,5-dimethylfuran-2-yl)-4,4-dimethyl-5H-1,3-oxazole
SMILESCc1oc(C2=NC(C)(C)CO2)c(C)c1C(C)(C)C
InChIInChI=1S/C15H23NO2/c1-9-11(14(3,4)5)10(2)18-12(9)13-16-15(6,7)8-17-13/h8H2,1-7H3
InChIKeyNETUBEYODOXDLD-UHFFFAOYSA-N
MW249.35 g/mol
LogP3.75
Rot. Bonds1

About 2-(4-tert-butyl-3,5-dimethylfuran-2-yl)-4,4-dimethyl-5H-1,3-oxazole

2-(4-tert-butyl-3,5-dimethylfuran-2-yl)-4,4-dimethyl-5H-1,3-oxazole (PubChem CID 14973108) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 2-(4-tert-butyl-3,5-dimethylfuran-2-yl)-4,4-dimethyl-5H-1,3-oxazole.

Molecular Properties

Compound Name2-(4-tert-butyl-3,5-dimethylfuran-2-yl)-4,4-dimethyl-5H-1,3-oxazole
PubChem CID14973108
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name2-(4-tert-butyl-3,5-dimethylfuran-2-yl)-4,4-dimethyl-5H-1,3-oxazole
SMILESCc1oc(C2=NC(C)(C)CO2)c(C)c1C(C)(C)C
InChIInChI=1S/C15H23NO2/c1-9-11(14(3,4)5)10(2)18-12(9)13-16-15(6,7)8-17-13/h8H2,1-7H3
InChIKeyNETUBEYODOXDLD-UHFFFAOYSA-N
XLogP3.75
TPSA34.73 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(4-tert-butyl-3,5-dimethylfuran-2-yl)-4,4-dimethyl-5H-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 2-(4-tert-butyl-3,5-dimethylfuran-2-yl)-4,4-dimethyl-5H-1,3-oxazole?
The IUPAC name of 2-(4-tert-butyl-3,5-dimethylfuran-2-yl)-4,4-dimethyl-5H-1,3-oxazole (CID 14973108) is 2-(4-tert-butyl-3,5-dimethylfuran-2-yl)-4,4-dimethyl-5H-1,3-oxazole.
What is the SMILES notation for 2-(4-tert-butyl-3,5-dimethylfuran-2-yl)-4,4-dimethyl-5H-1,3-oxazole?
The canonical SMILES for 2-(4-tert-butyl-3,5-dimethylfuran-2-yl)-4,4-dimethyl-5H-1,3-oxazole is Cc1oc(C2=NC(C)(C)CO2)c(C)c1C(C)(C)C.
What is the InChIKey of 2-(4-tert-butyl-3,5-dimethylfuran-2-yl)-4,4-dimethyl-5H-1,3-oxazole?
The InChIKey is NETUBEYODOXDLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-9-11(14(3,4)5)10(2)18-12(9)13-16-15(6,7)8-17-13/h8H2,1-7H3.
What are the key properties of 2-(4-tert-butyl-3,5-dimethylfuran-2-yl)-4,4-dimethyl-5H-1,3-oxazole?
2-(4-tert-butyl-3,5-dimethylfuran-2-yl)-4,4-dimethyl-5H-1,3-oxazole has a molecular weight of 249.35 g/mol, XLogP of 3.75, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butyl-3,5-dimethylfuran-2-yl)-4,4-dimethyl-5H-1,3-oxazole is sourced from PubChem (CID 14973108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).