1,2-oxazolidin-2-yl(1,2,3,4-tetrahydroisoquinolin-3-yl)methanone

C13H16N2O2 — CID 113375553

IUPAC1,2-oxazolidin-2-yl(1,2,3,4-tetrahydroisoquinolin-3-yl)methanone
SMILESO=C(C1Cc2ccccc2CN1)N1CCCO1
InChIInChI=1S/C13H16N2O2/c16-13(15-6-3-7-17-15)12-8-10-4-1-2-5-11(10)9-14-12/h1-2,4-5,12,14H,3,6-9H2
InChIKeyMSZGNFFNHVYHDU-UHFFFAOYSA-N
MW232.28 g/mol
LogP0.86
Rot. Bonds1

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

1,2-oxazolidin-2-yl(1,2,3,4-tetrahydroisoquinolin-3-yl)methanone (PubChem CID 113375553) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 1,2-oxazolidin-2-yl(1,2,3,4-tetrahydroisoquinolin-3-yl)methanone.

Molecular Properties

Compound Name1,2-oxazolidin-2-yl(1,2,3,4-tetrahydroisoquinolin-3-yl)methanone
PubChem CID113375553
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name1,2-oxazolidin-2-yl(1,2,3,4-tetrahydroisoquinolin-3-yl)methanone
SMILESO=C(C1Cc2ccccc2CN1)N1CCCO1
InChIInChI=1S/C13H16N2O2/c16-13(15-6-3-7-17-15)12-8-10-4-1-2-5-11(10)9-14-12/h1-2,4-5,12,14H,3,6-9H2
InChIKeyMSZGNFFNHVYHDU-UHFFFAOYSA-N
XLogP0.86
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1,2-oxazolidin-2-yl(1,2,3,4-tetrahydroisoquinolin-3-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

azocan-1-yl(1,2,3,4-tetrahydroisoquinolin-3-yl)methanone
CID 43211891
azepan-1-yl(1,2,3,4-tetrahydroisoquinolin-3-yl)methanone;hydrochloride
CID 119261624
(2-methyl-1,4-oxazepan-4-yl)-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]methanone
CID 104896483
[2-(hydroxymethyl)morpholin-4-yl]-[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methanone
CID 81203025
[2-(hydroxymethyl)morpholin-4-yl]-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]methanone
CID 104896735
(4-methylpiperazin-1-yl)-(1,2,3,4-tetrahydroisoquinolin-3-yl)methanone
CID 4911281
piperazin-1-yl-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]methanone
CID 93101281
1-[(3S)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]pyrrolidine-2-carboxamide
CID 104896094
1-[(3R)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]pyrrolidine-2-carboxamide
CID 61147948
[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-(1,2,3,4-tetrahydroisoquinolin-3-yl)methanone
CID 107220658
1,2-oxazolidin-2-yl(1,2,3,4-tetrahydroquinolin-3-yl)methanone
CID 106901703
(3-methylmorpholin-4-yl)-[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methanone
CID 61154202

Frequently Asked Questions

What is the IUPAC name of 1,2-oxazolidin-2-yl(1,2,3,4-tetrahydroisoquinolin-3-yl)methanone?
The IUPAC name of 1,2-oxazolidin-2-yl(1,2,3,4-tetrahydroisoquinolin-3-yl)methanone (CID 113375553) is 1,2-oxazolidin-2-yl(1,2,3,4-tetrahydroisoquinolin-3-yl)methanone.
What is the SMILES notation for 1,2-oxazolidin-2-yl(1,2,3,4-tetrahydroisoquinolin-3-yl)methanone?
The canonical SMILES for 1,2-oxazolidin-2-yl(1,2,3,4-tetrahydroisoquinolin-3-yl)methanone is O=C(C1Cc2ccccc2CN1)N1CCCO1.
What is the InChIKey of 1,2-oxazolidin-2-yl(1,2,3,4-tetrahydroisoquinolin-3-yl)methanone?
The InChIKey is MSZGNFFNHVYHDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c16-13(15-6-3-7-17-15)12-8-10-4-1-2-5-11(10)9-14-12/h1-2,4-5,12,14H,3,6-9H2.
What are the key properties of 1,2-oxazolidin-2-yl(1,2,3,4-tetrahydroisoquinolin-3-yl)methanone?
1,2-oxazolidin-2-yl(1,2,3,4-tetrahydroisoquinolin-3-yl)methanone has a molecular weight of 232.28 g/mol, XLogP of 0.86, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-oxazolidin-2-yl(1,2,3,4-tetrahydroisoquinolin-3-yl)methanone is sourced from PubChem (CID 113375553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).