2-(3-chlorophenyl)-2,5-dimethyl-1,3-oxazolidine

C11H14ClNO — CID 117229091

IUPAC2-(3-chlorophenyl)-2,5-dimethyl-1,3-oxazolidine
SMILESCC1CNC(C)(c2cccc(Cl)c2)O1
InChIInChI=1S/C11H14ClNO/c1-8-7-13-11(2,14-8)9-4-3-5-10(12)6-9/h3-6,8,13H,7H2,1-2H3
InChIKeyKQYSECGYGWAZGB-UHFFFAOYSA-N
MW211.69 g/mol
LogP2.52
Rot. Bonds1

About 2-(3-chlorophenyl)-2,5-dimethyl-1,3-oxazolidine

2-(3-chlorophenyl)-2,5-dimethyl-1,3-oxazolidine (PubChem CID 117229091) has the molecular formula C11H14ClNO and a molecular weight of 211.69 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-2,5-dimethyl-1,3-oxazolidine.

Molecular Properties

Compound Name2-(3-chlorophenyl)-2,5-dimethyl-1,3-oxazolidine
PubChem CID117229091
Molecular FormulaC11H14ClNO
Molecular Weight211.69 g/mol
Exact Mass211.08
IUPAC Name2-(3-chlorophenyl)-2,5-dimethyl-1,3-oxazolidine
SMILESCC1CNC(C)(c2cccc(Cl)c2)O1
InChIInChI=1S/C11H14ClNO/c1-8-7-13-11(2,14-8)9-4-3-5-10(12)6-9/h3-6,8,13H,7H2,1-2H3
InChIKeyKQYSECGYGWAZGB-UHFFFAOYSA-N
XLogP2.52
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.69
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(3-chlorophenyl)-2,5-dimethyl-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-(3-chlorophenyl)-2,5-dimethyl-1,3-oxazolidine?
The IUPAC name of 2-(3-chlorophenyl)-2,5-dimethyl-1,3-oxazolidine (CID 117229091) is 2-(3-chlorophenyl)-2,5-dimethyl-1,3-oxazolidine.
What is the SMILES notation for 2-(3-chlorophenyl)-2,5-dimethyl-1,3-oxazolidine?
The canonical SMILES for 2-(3-chlorophenyl)-2,5-dimethyl-1,3-oxazolidine is CC1CNC(C)(c2cccc(Cl)c2)O1.
What is the InChIKey of 2-(3-chlorophenyl)-2,5-dimethyl-1,3-oxazolidine?
The InChIKey is KQYSECGYGWAZGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO/c1-8-7-13-11(2,14-8)9-4-3-5-10(12)6-9/h3-6,8,13H,7H2,1-2H3.
What are the key properties of 2-(3-chlorophenyl)-2,5-dimethyl-1,3-oxazolidine?
2-(3-chlorophenyl)-2,5-dimethyl-1,3-oxazolidine has a molecular weight of 211.69 g/mol, XLogP of 2.52, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-2,5-dimethyl-1,3-oxazolidine is sourced from PubChem (CID 117229091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).