3-[1-(4-chlorophenyl)butyl]-1,3-oxazolidine;hydrochloride

C13H19Cl2NO — CID 3056413

IUPAC3-[1-(4-chlorophenyl)butyl]-1,3-oxazolidine;hydrochloride
SMILESCCCC(c1ccc(Cl)cc1)N1CCOC1.Cl
InChIInChI=1S/C13H18ClNO.ClH/c1-2-3-13(15-8-9-16-10-15)11-4-6-12(14)7-5-11;/h4-7,13H,2-3,8-10H2,1H3;1H
InChIKeyYPNBPPYWPBREQL-UHFFFAOYSA-N
MW276.21 g/mol
LogP3.89
Rot. Bonds4

About 3-[1-(4-chlorophenyl)butyl]-1,3-oxazolidine;hydrochloride

3-[1-(4-chlorophenyl)butyl]-1,3-oxazolidine;hydrochloride (PubChem CID 3056413) has the molecular formula C13H19Cl2NO and a molecular weight of 276.21 g/mol. Its IUPAC name is 3-[1-(4-chlorophenyl)butyl]-1,3-oxazolidine;hydrochloride.

Molecular Properties

Compound Name3-[1-(4-chlorophenyl)butyl]-1,3-oxazolidine;hydrochloride
PubChem CID3056413
Molecular FormulaC13H19Cl2NO
Molecular Weight276.21 g/mol
Exact Mass275.08
IUPAC Name3-[1-(4-chlorophenyl)butyl]-1,3-oxazolidine;hydrochloride
SMILESCCCC(c1ccc(Cl)cc1)N1CCOC1.Cl
InChIInChI=1S/C13H18ClNO.ClH/c1-2-3-13(15-8-9-16-10-15)11-4-6-12(14)7-5-11;/h4-7,13H,2-3,8-10H2,1H3;1H
InChIKeyYPNBPPYWPBREQL-UHFFFAOYSA-N
XLogP3.89
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.21
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-[1-(4-chlorophenyl)butyl]-1,3-oxazolidine;hydrochloride 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 3-[1-(4-chlorophenyl)butyl]-1,3-oxazolidine;hydrochloride?
The IUPAC name of 3-[1-(4-chlorophenyl)butyl]-1,3-oxazolidine;hydrochloride (CID 3056413) is 3-[1-(4-chlorophenyl)butyl]-1,3-oxazolidine;hydrochloride.
What is the SMILES notation for 3-[1-(4-chlorophenyl)butyl]-1,3-oxazolidine;hydrochloride?
The canonical SMILES for 3-[1-(4-chlorophenyl)butyl]-1,3-oxazolidine;hydrochloride is CCCC(c1ccc(Cl)cc1)N1CCOC1.Cl.
What is the InChIKey of 3-[1-(4-chlorophenyl)butyl]-1,3-oxazolidine;hydrochloride?
The InChIKey is YPNBPPYWPBREQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO.ClH/c1-2-3-13(15-8-9-16-10-15)11-4-6-12(14)7-5-11;/h4-7,13H,2-3,8-10H2,1H3;1H.
What are the key properties of 3-[1-(4-chlorophenyl)butyl]-1,3-oxazolidine;hydrochloride?
3-[1-(4-chlorophenyl)butyl]-1,3-oxazolidine;hydrochloride has a molecular weight of 276.21 g/mol, XLogP of 3.89, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-chlorophenyl)butyl]-1,3-oxazolidine;hydrochloride is sourced from PubChem (CID 3056413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).