(1R,10bR)-1-benzyl-1,10b-dimethyl-5,6-dihydro-[1,3]oxazolo[4,3-a]isoquinolin-3-one

C20H21NO2 — CID 7344333

IUPAC(1R,10bR)-1-benzyl-1,10b-dimethyl-5,6-dihydro-[1,3]oxazolo[4,3-a]isoquinolin-3-one
SMILESC[C@]1(Cc2ccccc2)OC(=O)N2CCc3ccccc3[C@@]21C
InChIInChI=1S/C20H21NO2/c1-19(14-15-8-4-3-5-9-15)20(2)17-11-7-6-10-16(17)12-13-21(20)18(22)23-19/h3-11H,12-14H2,1-2H3/t19-,20-/m1/s1
InChIKeyQKFVPBUPWYXICK-WOJBJXKFSA-N
MW307.39 g/mol
LogP3.91
Rot. Bonds2

About (1R,10bR)-1-benzyl-1,10b-dimethyl-5,6-dihydro-[1,3]oxazolo[4,3-a]isoquinolin-3-one

(1R,10bR)-1-benzyl-1,10b-dimethyl-5,6-dihydro-[1,3]oxazolo[4,3-a]isoquinolin-3-one (PubChem CID 7344333) has the molecular formula C20H21NO2 and a molecular weight of 307.39 g/mol. Its IUPAC name is (1R,10bR)-1-benzyl-1,10b-dimethyl-5,6-dihydro-[1,3]oxazolo[4,3-a]isoquinolin-3-one.

Molecular Properties

Compound Name(1R,10bR)-1-benzyl-1,10b-dimethyl-5,6-dihydro-[1,3]oxazolo[4,3-a]isoquinolin-3-one
PubChem CID7344333
Molecular FormulaC20H21NO2
Molecular Weight307.39 g/mol
Exact Mass307.16
IUPAC Name(1R,10bR)-1-benzyl-1,10b-dimethyl-5,6-dihydro-[1,3]oxazolo[4,3-a]isoquinolin-3-one
SMILESC[C@]1(Cc2ccccc2)OC(=O)N2CCc3ccccc3[C@@]21C
InChIInChI=1S/C20H21NO2/c1-19(14-15-8-4-3-5-9-15)20(2)17-11-7-6-10-16(17)12-13-21(20)18(22)23-19/h3-11H,12-14H2,1-2H3/t19-,20-/m1/s1
InChIKeyQKFVPBUPWYXICK-WOJBJXKFSA-N
XLogP3.91
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (1R,10bR)-1-benzyl-1,10b-dimethyl-5,6-dihydro-[1,3]oxazolo[4,3-a]isoquinolin-3-one with MolForge

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Launch Full Analysis

Related Compounds

2',2',6',6',10b-pentamethylspiro[5,6-dihydro-[1,3]oxazolo[4,3-a]isoquinoline-1,4'-piperidin-1-ium]-3-one
CID 4522840
(3aS,9bS)-1-benzyl-3a,9b-dimethyl-4,5-dihydrobenzo[e][1,3]benzoxazol-2-one
CID 7310951
1-benzyl-1-methyl-3,4-dihydronaphthalen-2-one
CID 10243846
(7R)-7-benzylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxylic acid
CID 125469336
2-(5-benzyl-4-hydroxy-4,5-dimethyl-2-oxo-1,3-oxazolidin-3-yl)acetate
CID 5128608
12b-(hydroxymethyl)-5,6-dihydroisoindolo[1,2-a]isoquinolin-8-one
CID 100952357
(2S)-2-benzyl-2-methyl-3H-1-benzofuran
CID 134955555
1-hydroperoxy-1,2-dimethyl-3,4-dihydroisoquinoline
CID 142046783
(2S,3R)-3-ethyl-2,3,12-trimethyl-4-oxa-6,16-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),10(15),11,13-tetraen-5-one
CID 7358795
(10R)-10-methyl-4-thia-1-azatetracyclo[8.8.0.02,7.011,16]octadeca-2(7),11,13,15-tetraene-6,8-dione
CID 7304017
4-[(5,5-dimethyl-2,4-dihydro-1H-3-benzazepin-3-yl)methyl]-5-ethylfuran-2-carboxylic acid
CID 146135567
(1,2-dimethyl-3,4-dihydroisoquinolin-1-yl)methyl-trimethylsilane
CID 10083330

Frequently Asked Questions

What is the IUPAC name of (1R,10bR)-1-benzyl-1,10b-dimethyl-5,6-dihydro-[1,3]oxazolo[4,3-a]isoquinolin-3-one?
The IUPAC name of (1R,10bR)-1-benzyl-1,10b-dimethyl-5,6-dihydro-[1,3]oxazolo[4,3-a]isoquinolin-3-one (CID 7344333) is (1R,10bR)-1-benzyl-1,10b-dimethyl-5,6-dihydro-[1,3]oxazolo[4,3-a]isoquinolin-3-one.
What is the SMILES notation for (1R,10bR)-1-benzyl-1,10b-dimethyl-5,6-dihydro-[1,3]oxazolo[4,3-a]isoquinolin-3-one?
The canonical SMILES for (1R,10bR)-1-benzyl-1,10b-dimethyl-5,6-dihydro-[1,3]oxazolo[4,3-a]isoquinolin-3-one is C[C@]1(Cc2ccccc2)OC(=O)N2CCc3ccccc3[C@@]21C.
What is the InChIKey of (1R,10bR)-1-benzyl-1,10b-dimethyl-5,6-dihydro-[1,3]oxazolo[4,3-a]isoquinolin-3-one?
The InChIKey is QKFVPBUPWYXICK-WOJBJXKFSA-N. The full InChI is InChI=1S/C20H21NO2/c1-19(14-15-8-4-3-5-9-15)20(2)17-11-7-6-10-16(17)12-13-21(20)18(22)23-19/h3-11H,12-14H2,1-2H3/t19-,20-/m1/s1.
What are the key properties of (1R,10bR)-1-benzyl-1,10b-dimethyl-5,6-dihydro-[1,3]oxazolo[4,3-a]isoquinolin-3-one?
(1R,10bR)-1-benzyl-1,10b-dimethyl-5,6-dihydro-[1,3]oxazolo[4,3-a]isoquinolin-3-one has a molecular weight of 307.39 g/mol, XLogP of 3.91, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,10bR)-1-benzyl-1,10b-dimethyl-5,6-dihydro-[1,3]oxazolo[4,3-a]isoquinolin-3-one is sourced from PubChem (CID 7344333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).