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

C12H14N2O2 — CID 54595792

IUPAC3-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1,3-oxazolidin-2-one
SMILESO=C1OCCN1c1cccc2c1CCNC2
InChIInChI=1S/C12H14N2O2/c15-12-14(6-7-16-12)11-3-1-2-9-8-13-5-4-10(9)11/h1-3,13H,4-8H2
InChIKeyGEEDIKXYZLKGCK-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.29
Rot. Bonds1

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

3-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1,3-oxazolidin-2-one (PubChem CID 54595792) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 3-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1,3-oxazolidin-2-one
PubChem CID54595792
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name3-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1,3-oxazolidin-2-one
SMILESO=C1OCCN1c1cccc2c1CCNC2
InChIInChI=1S/C12H14N2O2/c15-12-14(6-7-16-12)11-3-1-2-9-8-13-5-4-10(9)11/h1-3,13H,4-8H2
InChIKeyGEEDIKXYZLKGCK-UHFFFAOYSA-N
XLogP1.29
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.29
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?
The IUPAC name of 3-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1,3-oxazolidin-2-one (CID 54595792) is 3-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1,3-oxazolidin-2-one?
The canonical SMILES for 3-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1,3-oxazolidin-2-one is O=C1OCCN1c1cccc2c1CCNC2.
What is the InChIKey of 3-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1,3-oxazolidin-2-one?
The InChIKey is GEEDIKXYZLKGCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c15-12-14(6-7-16-12)11-3-1-2-9-8-13-5-4-10(9)11/h1-3,13H,4-8H2.
What are the key properties of 3-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1,3-oxazolidin-2-one?
3-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1,3-oxazolidin-2-one has a molecular weight of 218.26 g/mol, XLogP of 1.29, 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 is sourced from PubChem (CID 54595792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).