3-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1,3-oxazolidin-2-one;hydrochloride

C12H15ClN2O2 — CID 54595791

IUPAC3-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1,3-oxazolidin-2-one;hydrochloride
SMILESCl.O=C1OCCN1c1cccc2c1CCNC2
InChIInChI=1S/C12H14N2O2.ClH/c15-12-14(6-7-16-12)11-3-1-2-9-8-13-5-4-10(9)11;/h1-3,13H,4-8H2;1H
InChIKeyOIOIFRLGFISTJQ-UHFFFAOYSA-N
MW254.72 g/mol
LogP1.71
Rot. Bonds1

About 3-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1,3-oxazolidin-2-one;hydrochloride

3-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1,3-oxazolidin-2-one;hydrochloride (PubChem CID 54595791) has the molecular formula C12H15ClN2O2 and a molecular weight of 254.72 g/mol. Its IUPAC name is 3-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1,3-oxazolidin-2-one;hydrochloride.

Molecular Properties

Compound Name3-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1,3-oxazolidin-2-one;hydrochloride
PubChem CID54595791
Molecular FormulaC12H15ClN2O2
Molecular Weight254.72 g/mol
Exact Mass254.08
IUPAC Name3-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1,3-oxazolidin-2-one;hydrochloride
SMILESCl.O=C1OCCN1c1cccc2c1CCNC2
InChIInChI=1S/C12H14N2O2.ClH/c15-12-14(6-7-16-12)11-3-1-2-9-8-13-5-4-10(9)11;/h1-3,13H,4-8H2;1H
InChIKeyOIOIFRLGFISTJQ-UHFFFAOYSA-N
XLogP1.71
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.72
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1,3-oxazolidin-2-one;hydrochloride?
The IUPAC name of 3-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1,3-oxazolidin-2-one;hydrochloride (CID 54595791) is 3-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1,3-oxazolidin-2-one;hydrochloride.
What is the SMILES notation for 3-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1,3-oxazolidin-2-one;hydrochloride?
The canonical SMILES for 3-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1,3-oxazolidin-2-one;hydrochloride is Cl.O=C1OCCN1c1cccc2c1CCNC2.
What is the InChIKey of 3-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1,3-oxazolidin-2-one;hydrochloride?
The InChIKey is OIOIFRLGFISTJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2.ClH/c15-12-14(6-7-16-12)11-3-1-2-9-8-13-5-4-10(9)11;/h1-3,13H,4-8H2;1H.
What are the key properties of 3-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1,3-oxazolidin-2-one;hydrochloride?
3-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1,3-oxazolidin-2-one;hydrochloride has a molecular weight of 254.72 g/mol, XLogP of 1.71, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1,3-oxazolidin-2-one;hydrochloride is sourced from PubChem (CID 54595791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).