3-(1-phenylbutyl)-1,3-oxazolidine;hydrochloride

C13H20ClNO — CID 3056418

IUPAC3-(1-phenylbutyl)-1,3-oxazolidine;hydrochloride
SMILESCCCC(c1ccccc1)N1CCOC1.Cl
InChIInChI=1S/C13H19NO.ClH/c1-2-6-13(14-9-10-15-11-14)12-7-4-3-5-8-12;/h3-5,7-8,13H,2,6,9-11H2,1H3;1H
InChIKeyCOYALERAORPIMK-UHFFFAOYSA-N
MW241.76 g/mol
LogP3.24
Rot. Bonds4

About 3-(1-phenylbutyl)-1,3-oxazolidine;hydrochloride

3-(1-phenylbutyl)-1,3-oxazolidine;hydrochloride (PubChem CID 3056418) has the molecular formula C13H20ClNO and a molecular weight of 241.76 g/mol. Its IUPAC name is 3-(1-phenylbutyl)-1,3-oxazolidine;hydrochloride.

Molecular Properties

Compound Name3-(1-phenylbutyl)-1,3-oxazolidine;hydrochloride
PubChem CID3056418
Molecular FormulaC13H20ClNO
Molecular Weight241.76 g/mol
Exact Mass241.12
IUPAC Name3-(1-phenylbutyl)-1,3-oxazolidine;hydrochloride
SMILESCCCC(c1ccccc1)N1CCOC1.Cl
InChIInChI=1S/C13H19NO.ClH/c1-2-6-13(14-9-10-15-11-14)12-7-4-3-5-8-12;/h3-5,7-8,13H,2,6,9-11H2,1H3;1H
InChIKeyCOYALERAORPIMK-UHFFFAOYSA-N
XLogP3.24
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.76
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(1-phenylbutyl)-1,3-oxazolidine;hydrochloride?
The IUPAC name of 3-(1-phenylbutyl)-1,3-oxazolidine;hydrochloride (CID 3056418) is 3-(1-phenylbutyl)-1,3-oxazolidine;hydrochloride.
What is the SMILES notation for 3-(1-phenylbutyl)-1,3-oxazolidine;hydrochloride?
The canonical SMILES for 3-(1-phenylbutyl)-1,3-oxazolidine;hydrochloride is CCCC(c1ccccc1)N1CCOC1.Cl.
What is the InChIKey of 3-(1-phenylbutyl)-1,3-oxazolidine;hydrochloride?
The InChIKey is COYALERAORPIMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO.ClH/c1-2-6-13(14-9-10-15-11-14)12-7-4-3-5-8-12;/h3-5,7-8,13H,2,6,9-11H2,1H3;1H.
What are the key properties of 3-(1-phenylbutyl)-1,3-oxazolidine;hydrochloride?
3-(1-phenylbutyl)-1,3-oxazolidine;hydrochloride has a molecular weight of 241.76 g/mol, XLogP of 3.24, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-phenylbutyl)-1,3-oxazolidine;hydrochloride is sourced from PubChem (CID 3056418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).