2-(4-tert-butylphenyl)-1,3-oxazolidine

C13H19NO — CID 82112797

IUPAC2-(4-tert-butylphenyl)-1,3-oxazolidine
SMILESCC(C)(C)c1ccc(C2NCCO2)cc1
InChIInChI=1S/C13H19NO/c1-13(2,3)11-6-4-10(5-7-11)12-14-8-9-15-12/h4-7,12,14H,8-9H2,1-3H3
InChIKeyYBVNDVILHHNTSW-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.60
Rot. Bonds1

About 2-(4-tert-butylphenyl)-1,3-oxazolidine

2-(4-tert-butylphenyl)-1,3-oxazolidine (PubChem CID 82112797) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-1,3-oxazolidine.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)-1,3-oxazolidine
PubChem CID82112797
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name2-(4-tert-butylphenyl)-1,3-oxazolidine
SMILESCC(C)(C)c1ccc(C2NCCO2)cc1
InChIInChI=1S/C13H19NO/c1-13(2,3)11-6-4-10(5-7-11)12-14-8-9-15-12/h4-7,12,14H,8-9H2,1-3H3
InChIKeyYBVNDVILHHNTSW-UHFFFAOYSA-N
XLogP2.60
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(4-tert-butylphenyl)-1,3-oxazolidine 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-butylphenyl)-1,3-oxazolidine?
The IUPAC name of 2-(4-tert-butylphenyl)-1,3-oxazolidine (CID 82112797) is 2-(4-tert-butylphenyl)-1,3-oxazolidine.
What is the SMILES notation for 2-(4-tert-butylphenyl)-1,3-oxazolidine?
The canonical SMILES for 2-(4-tert-butylphenyl)-1,3-oxazolidine is CC(C)(C)c1ccc(C2NCCO2)cc1.
What is the InChIKey of 2-(4-tert-butylphenyl)-1,3-oxazolidine?
The InChIKey is YBVNDVILHHNTSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-13(2,3)11-6-4-10(5-7-11)12-14-8-9-15-12/h4-7,12,14H,8-9H2,1-3H3.
What are the key properties of 2-(4-tert-butylphenyl)-1,3-oxazolidine?
2-(4-tert-butylphenyl)-1,3-oxazolidine has a molecular weight of 205.30 g/mol, XLogP of 2.60, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)-1,3-oxazolidine is sourced from PubChem (CID 82112797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).