2-(oxan-4-yl)-1,3-oxazolidine;hydrochloride

C8H16ClNO2 — CID 117225611

IUPAC2-(oxan-4-yl)-1,3-oxazolidine;hydrochloride
SMILESC1COC(C2CCOCC2)N1.Cl
InChIInChI=1S/C8H15NO2.ClH/c1-4-10-5-2-7(1)8-9-3-6-11-8;/h7-9H,1-6H2;1H
InChIKeyQLRJELJRJOUHIG-UHFFFAOYSA-N
MW193.67 g/mol
LogP0.78
Rot. Bonds1

About 2-(oxan-4-yl)-1,3-oxazolidine;hydrochloride

2-(oxan-4-yl)-1,3-oxazolidine;hydrochloride (PubChem CID 117225611) has the molecular formula C8H16ClNO2 and a molecular weight of 193.67 g/mol. Its IUPAC name is 2-(oxan-4-yl)-1,3-oxazolidine;hydrochloride.

Molecular Properties

Compound Name2-(oxan-4-yl)-1,3-oxazolidine;hydrochloride
PubChem CID117225611
Molecular FormulaC8H16ClNO2
Molecular Weight193.67 g/mol
Exact Mass193.09
IUPAC Name2-(oxan-4-yl)-1,3-oxazolidine;hydrochloride
SMILESC1COC(C2CCOCC2)N1.Cl
InChIInChI=1S/C8H15NO2.ClH/c1-4-10-5-2-7(1)8-9-3-6-11-8;/h7-9H,1-6H2;1H
InChIKeyQLRJELJRJOUHIG-UHFFFAOYSA-N
XLogP0.78
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.67
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(oxan-4-yl)-1,3-oxazolidine;hydrochloride?
The IUPAC name of 2-(oxan-4-yl)-1,3-oxazolidine;hydrochloride (CID 117225611) is 2-(oxan-4-yl)-1,3-oxazolidine;hydrochloride.
What is the SMILES notation for 2-(oxan-4-yl)-1,3-oxazolidine;hydrochloride?
The canonical SMILES for 2-(oxan-4-yl)-1,3-oxazolidine;hydrochloride is C1COC(C2CCOCC2)N1.Cl.
What is the InChIKey of 2-(oxan-4-yl)-1,3-oxazolidine;hydrochloride?
The InChIKey is QLRJELJRJOUHIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2.ClH/c1-4-10-5-2-7(1)8-9-3-6-11-8;/h7-9H,1-6H2;1H.
What are the key properties of 2-(oxan-4-yl)-1,3-oxazolidine;hydrochloride?
2-(oxan-4-yl)-1,3-oxazolidine;hydrochloride has a molecular weight of 193.67 g/mol, XLogP of 0.78, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-4-yl)-1,3-oxazolidine;hydrochloride is sourced from PubChem (CID 117225611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).