4-benzyl-1,3-oxazolidine

C10H13NO — CID 22719793

IUPAC4-benzyl-1,3-oxazolidine
SMILESc1ccc(CC2COCN2)cc1
InChIInChI=1S/C10H13NO/c1-2-4-9(5-3-1)6-10-7-12-8-11-10/h1-5,10-11H,6-8H2
InChIKeyPMZZAXLJEHLZLA-UHFFFAOYSA-N
MW163.22 g/mol
LogP1.17
Rot. Bonds2

About 4-benzyl-1,3-oxazolidine

4-benzyl-1,3-oxazolidine (PubChem CID 22719793) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is 4-benzyl-1,3-oxazolidine.

Molecular Properties

Compound Name4-benzyl-1,3-oxazolidine
PubChem CID22719793
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name4-benzyl-1,3-oxazolidine
SMILESc1ccc(CC2COCN2)cc1
InChIInChI=1S/C10H13NO/c1-2-4-9(5-3-1)6-10-7-12-8-11-10/h1-5,10-11H,6-8H2
InChIKeyPMZZAXLJEHLZLA-UHFFFAOYSA-N
XLogP1.17
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-benzyl-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 4-benzyl-1,3-oxazolidine?
The IUPAC name of 4-benzyl-1,3-oxazolidine (CID 22719793) is 4-benzyl-1,3-oxazolidine.
What is the SMILES notation for 4-benzyl-1,3-oxazolidine?
The canonical SMILES for 4-benzyl-1,3-oxazolidine is c1ccc(CC2COCN2)cc1.
What is the InChIKey of 4-benzyl-1,3-oxazolidine?
The InChIKey is PMZZAXLJEHLZLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO/c1-2-4-9(5-3-1)6-10-7-12-8-11-10/h1-5,10-11H,6-8H2.
What are the key properties of 4-benzyl-1,3-oxazolidine?
4-benzyl-1,3-oxazolidine has a molecular weight of 163.22 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-1,3-oxazolidine is sourced from PubChem (CID 22719793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).