2-[(3R,10bS)-3,5,6,10b-tetrahydro-2H-[1,3]oxazolo[2,3-a]isoquinolin-3-yl]-1-(4-chlorophenyl)ethanone

C19H18ClNO2 — CID 140922704

IUPAC2-[(3R,10bS)-3,5,6,10b-tetrahydro-2H-[1,3]oxazolo[2,3-a]isoquinolin-3-yl]-1-(4-chlorophenyl)ethanone
SMILESO=C(C[C@@H]1CO[C@H]2c3ccccc3CCN12)c1ccc(Cl)cc1
InChIInChI=1S/C19H18ClNO2/c20-15-7-5-14(6-8-15)18(22)11-16-12-23-19-17-4-2-1-3-13(17)9-10-21(16)19/h1-8,16,19H,9-12H2/t16-,19+/m1/s1
InChIKeyFSKCPFGAKUKDMX-APWZRJJASA-N
MW327.81 g/mol
LogP3.87
Rot. Bonds3

About 2-[(3R,10bS)-3,5,6,10b-tetrahydro-2H-[1,3]oxazolo[2,3-a]isoquinolin-3-yl]-1-(4-chlorophenyl)ethanone

2-[(3R,10bS)-3,5,6,10b-tetrahydro-2H-[1,3]oxazolo[2,3-a]isoquinolin-3-yl]-1-(4-chlorophenyl)ethanone (PubChem CID 140922704) has the molecular formula C19H18ClNO2 and a molecular weight of 327.81 g/mol. Its IUPAC name is 2-[(3R,10bS)-3,5,6,10b-tetrahydro-2H-[1,3]oxazolo[2,3-a]isoquinolin-3-yl]-1-(4-chlorophenyl)ethanone.

Molecular Properties

Compound Name2-[(3R,10bS)-3,5,6,10b-tetrahydro-2H-[1,3]oxazolo[2,3-a]isoquinolin-3-yl]-1-(4-chlorophenyl)ethanone
PubChem CID140922704
Molecular FormulaC19H18ClNO2
Molecular Weight327.81 g/mol
Exact Mass327.10
IUPAC Name2-[(3R,10bS)-3,5,6,10b-tetrahydro-2H-[1,3]oxazolo[2,3-a]isoquinolin-3-yl]-1-(4-chlorophenyl)ethanone
SMILESO=C(C[C@@H]1CO[C@H]2c3ccccc3CCN12)c1ccc(Cl)cc1
InChIInChI=1S/C19H18ClNO2/c20-15-7-5-14(6-8-15)18(22)11-16-12-23-19-17-4-2-1-3-13(17)9-10-21(16)19/h1-8,16,19H,9-12H2/t16-,19+/m1/s1
InChIKeyFSKCPFGAKUKDMX-APWZRJJASA-N
XLogP3.87
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.81
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[(3R,10bS)-3,5,6,10b-tetrahydro-2H-[1,3]oxazolo[2,3-a]isoquinolin-3-yl]-1-(4-chlorophenyl)ethanone 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

1-phenyl-2-(7-phenyl-3,5,6,10b-tetrahydro-2H-[1,3]oxazolo[2,3-a]isoquinolin-3-yl)ethanone
CID 140922753
1-(9-chloro-3,5,6,10b-tetrahydro-2H-[1,3]oxazolo[2,3-a]isoquinolin-3-yl)-3,3-dimethylbutan-2-one
CID 140922733
1-[(3R,10bS)-9-methyl-3,5,6,10b-tetrahydro-2H-[1,3]oxazolo[2,3-a]isoquinolin-3-yl]-3,3-dimethylbutan-2-one
CID 140922731
(4-chlorophenyl)-[1-(2-fluorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CID 46095397
1-(4-fluorophenyl)-2-(2-phenyl-3,4-dihydro-1H-isoquinolin-1-yl)ethanone
CID 132503091
1-(4-chlorophenyl)-3,4-dihydro-1H-isoquinoline-2-carboxylic acid
CID 21266277
[(9S,14aS)-9-(4-chlorophenyl)-5,6,9,14a-tetrahydroisoquinolino[1,2-b][1,3,4]benzoxadiazepin-8-yl]-phenylmethanone
CID 139193177
[1-(4-chlorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-(3,4-difluorophenyl)methanone
CID 46095608
1-[2-(4-chlorophenyl)-3,4-dihydro-1H-isoquinolin-1-yl]hexan-2-one
CID 71567842
1-(4-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone
CID 62023511
(3S)-3-[2-(4-chlorophenyl)-2-oxoethyl]-2,3-dihydroisoindol-1-one
CID 164681172
methyl 3-(4-chlorophenyl)-2-(3,4-dihydro-1H-isochromen-1-yl)-3-oxopropanoate
CID 132602979

Frequently Asked Questions

What is the IUPAC name of 2-[(3R,10bS)-3,5,6,10b-tetrahydro-2H-[1,3]oxazolo[2,3-a]isoquinolin-3-yl]-1-(4-chlorophenyl)ethanone?
The IUPAC name of 2-[(3R,10bS)-3,5,6,10b-tetrahydro-2H-[1,3]oxazolo[2,3-a]isoquinolin-3-yl]-1-(4-chlorophenyl)ethanone (CID 140922704) is 2-[(3R,10bS)-3,5,6,10b-tetrahydro-2H-[1,3]oxazolo[2,3-a]isoquinolin-3-yl]-1-(4-chlorophenyl)ethanone.
What is the SMILES notation for 2-[(3R,10bS)-3,5,6,10b-tetrahydro-2H-[1,3]oxazolo[2,3-a]isoquinolin-3-yl]-1-(4-chlorophenyl)ethanone?
The canonical SMILES for 2-[(3R,10bS)-3,5,6,10b-tetrahydro-2H-[1,3]oxazolo[2,3-a]isoquinolin-3-yl]-1-(4-chlorophenyl)ethanone is O=C(C[C@@H]1CO[C@H]2c3ccccc3CCN12)c1ccc(Cl)cc1.
What is the InChIKey of 2-[(3R,10bS)-3,5,6,10b-tetrahydro-2H-[1,3]oxazolo[2,3-a]isoquinolin-3-yl]-1-(4-chlorophenyl)ethanone?
The InChIKey is FSKCPFGAKUKDMX-APWZRJJASA-N. The full InChI is InChI=1S/C19H18ClNO2/c20-15-7-5-14(6-8-15)18(22)11-16-12-23-19-17-4-2-1-3-13(17)9-10-21(16)19/h1-8,16,19H,9-12H2/t16-,19+/m1/s1.
What are the key properties of 2-[(3R,10bS)-3,5,6,10b-tetrahydro-2H-[1,3]oxazolo[2,3-a]isoquinolin-3-yl]-1-(4-chlorophenyl)ethanone?
2-[(3R,10bS)-3,5,6,10b-tetrahydro-2H-[1,3]oxazolo[2,3-a]isoquinolin-3-yl]-1-(4-chlorophenyl)ethanone has a molecular weight of 327.81 g/mol, XLogP of 3.87, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R,10bS)-3,5,6,10b-tetrahydro-2H-[1,3]oxazolo[2,3-a]isoquinolin-3-yl]-1-(4-chlorophenyl)ethanone is sourced from PubChem (CID 140922704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).