(2S,10bR)-2-[(2-methylpropan-2-yl)oxy]-2,5,6,10b-tetrahydro-1H-[1,2]oxazolo[3,2-a]isoquinoline

C15H21NO2 — CID 102250764

IUPAC(2S,10bR)-2-[(2-methylpropan-2-yl)oxy]-2,5,6,10b-tetrahydro-1H-[1,2]oxazolo[3,2-a]isoquinoline
SMILESCC(C)(C)O[C@@H]1C[C@@H]2c3ccccc3CCN2O1
InChIInChI=1S/C15H21NO2/c1-15(2,3)17-14-10-13-12-7-5-4-6-11(12)8-9-16(13)18-14/h4-7,13-14H,8-10H2,1-3H3/t13-,14+/m1/s1
InChIKeyPJIJVTHOHBZDGL-KGLIPLIRSA-N
MW247.34 g/mol
LogP3.06
Rot. Bonds1

About (2S,10bR)-2-[(2-methylpropan-2-yl)oxy]-2,5,6,10b-tetrahydro-1H-[1,2]oxazolo[3,2-a]isoquinoline

(2S,10bR)-2-[(2-methylpropan-2-yl)oxy]-2,5,6,10b-tetrahydro-1H-[1,2]oxazolo[3,2-a]isoquinoline (PubChem CID 102250764) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is (2S,10bR)-2-[(2-methylpropan-2-yl)oxy]-2,5,6,10b-tetrahydro-1H-[1,2]oxazolo[3,2-a]isoquinoline.

Molecular Properties

Compound Name(2S,10bR)-2-[(2-methylpropan-2-yl)oxy]-2,5,6,10b-tetrahydro-1H-[1,2]oxazolo[3,2-a]isoquinoline
PubChem CID102250764
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name(2S,10bR)-2-[(2-methylpropan-2-yl)oxy]-2,5,6,10b-tetrahydro-1H-[1,2]oxazolo[3,2-a]isoquinoline
SMILESCC(C)(C)O[C@@H]1C[C@@H]2c3ccccc3CCN2O1
InChIInChI=1S/C15H21NO2/c1-15(2,3)17-14-10-13-12-7-5-4-6-11(12)8-9-16(13)18-14/h4-7,13-14H,8-10H2,1-3H3/t13-,14+/m1/s1
InChIKeyPJIJVTHOHBZDGL-KGLIPLIRSA-N
XLogP3.06
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2S,10bR)-2-[(2-methylpropan-2-yl)oxy]-2,5,6,10b-tetrahydro-1H-[1,2]oxazolo[3,2-a]isoquinoline 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

(2S,10bS)-9-fluoro-2-[(2-methylpropan-2-yl)oxy]-2,5,6,10b-tetrahydro-1H-[1,2]oxazolo[3,2-a]isoquinoline
CID 146164351
(2S,10bS)-7-fluoro-2-[(2-methylpropan-2-yl)oxy]-2,5,6,10b-tetrahydro-1H-[1,2]oxazolo[3,2-a]isoquinoline
CID 146164468
(3S,5S)-5-ethoxy-2-methyl-3-phenyl-1,2-oxazolidine
CID 93504493
(3S,5R)-5-ethoxy-2-methyl-3-phenyl-1,2-oxazolidine
CID 93504494
(3S,5S)-2-benzyl-5-ethoxy-3-phenyl-1,2-oxazolidine
CID 100914315
(3S,5R)-2-benzyl-5-ethoxy-3-phenyl-1,2-oxazolidine
CID 100914316
2,5,6,10b-tetrahydro-1H-[1,2]oxazolo[3,2-a]isoquinoline
CID 154206022
CID 11020386
CID 11020386
(2S,10bS)-2-ethoxy-2,5,6,10b-tetrahydro-1H-[1,2]oxazolo[3,2-a]isoquinoline
CID 12014903
(2S,10bS)-2-[(2-methylpropan-2-yl)oxy]-2,5,6,10b-tetrahydro-1H-[1,2]oxazolo[3,2-a]isoquinoline
CID 12014904
(2R,10bS)-2-ethoxy-2,5,6,10b-tetrahydro-1H-[1,2]oxazolo[3,2-a]isoquinoline
CID 93504943
(1S,12R)-11,13-dioxa-10-azatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6-triene
CID 134936359

Frequently Asked Questions

What is the IUPAC name of (2S,10bR)-2-[(2-methylpropan-2-yl)oxy]-2,5,6,10b-tetrahydro-1H-[1,2]oxazolo[3,2-a]isoquinoline?
The IUPAC name of (2S,10bR)-2-[(2-methylpropan-2-yl)oxy]-2,5,6,10b-tetrahydro-1H-[1,2]oxazolo[3,2-a]isoquinoline (CID 102250764) is (2S,10bR)-2-[(2-methylpropan-2-yl)oxy]-2,5,6,10b-tetrahydro-1H-[1,2]oxazolo[3,2-a]isoquinoline.
What is the SMILES notation for (2S,10bR)-2-[(2-methylpropan-2-yl)oxy]-2,5,6,10b-tetrahydro-1H-[1,2]oxazolo[3,2-a]isoquinoline?
The canonical SMILES for (2S,10bR)-2-[(2-methylpropan-2-yl)oxy]-2,5,6,10b-tetrahydro-1H-[1,2]oxazolo[3,2-a]isoquinoline is CC(C)(C)O[C@@H]1C[C@@H]2c3ccccc3CCN2O1.
What is the InChIKey of (2S,10bR)-2-[(2-methylpropan-2-yl)oxy]-2,5,6,10b-tetrahydro-1H-[1,2]oxazolo[3,2-a]isoquinoline?
The InChIKey is PJIJVTHOHBZDGL-KGLIPLIRSA-N. The full InChI is InChI=1S/C15H21NO2/c1-15(2,3)17-14-10-13-12-7-5-4-6-11(12)8-9-16(13)18-14/h4-7,13-14H,8-10H2,1-3H3/t13-,14+/m1/s1.
What are the key properties of (2S,10bR)-2-[(2-methylpropan-2-yl)oxy]-2,5,6,10b-tetrahydro-1H-[1,2]oxazolo[3,2-a]isoquinoline?
(2S,10bR)-2-[(2-methylpropan-2-yl)oxy]-2,5,6,10b-tetrahydro-1H-[1,2]oxazolo[3,2-a]isoquinoline has a molecular weight of 247.34 g/mol, XLogP of 3.06, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,10bR)-2-[(2-methylpropan-2-yl)oxy]-2,5,6,10b-tetrahydro-1H-[1,2]oxazolo[3,2-a]isoquinoline is sourced from PubChem (CID 102250764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).