1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinolin-2-yl-[5-(furan-2-yl)-1,2-oxazol-3-yl]methanone

C20H19N3O3 — CID 110308683

IUPAC1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinolin-2-yl-[5-(furan-2-yl)-1,2-oxazol-3-yl]methanone
SMILESO=C(c1cc(-c2ccco2)on1)N1CCN2CCc3ccccc3C2C1
InChIInChI=1S/C20H19N3O3/c24-20(16-12-19(26-21-16)18-6-3-11-25-18)23-10-9-22-8-7-14-4-1-2-5-15(14)17(22)13-23/h1-6,11-12,17H,7-10,13H2
InChIKeyCXELGMPCAPADTO-UHFFFAOYSA-N
MW349.39 g/mol
LogP2.99
Rot. Bonds2

About 1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinolin-2-yl-[5-(furan-2-yl)-1,2-oxazol-3-yl]methanone

1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinolin-2-yl-[5-(furan-2-yl)-1,2-oxazol-3-yl]methanone (PubChem CID 110308683) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is 1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinolin-2-yl-[5-(furan-2-yl)-1,2-oxazol-3-yl]methanone.

Molecular Properties

Compound Name1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinolin-2-yl-[5-(furan-2-yl)-1,2-oxazol-3-yl]methanone
PubChem CID110308683
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC Name1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinolin-2-yl-[5-(furan-2-yl)-1,2-oxazol-3-yl]methanone
SMILESO=C(c1cc(-c2ccco2)on1)N1CCN2CCc3ccccc3C2C1
InChIInChI=1S/C20H19N3O3/c24-20(16-12-19(26-21-16)18-6-3-11-25-18)23-10-9-22-8-7-14-4-1-2-5-15(14)17(22)13-23/h1-6,11-12,17H,7-10,13H2
InChIKeyCXELGMPCAPADTO-UHFFFAOYSA-N
XLogP2.99
TPSA62.72 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinolin-2-yl-[5-(furan-2-yl)-1,2-oxazol-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

[5-(furan-2-yl)-1,2-oxazol-3-yl]-[4-(4-methylpiperazine-1-carbonyl)piperazin-1-yl]methanone
CID 167750688
1-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]piperidine-3-carboxylic acid
CID 43171030
(3-aminopiperidin-1-yl)-[5-(furan-2-yl)-1,2-oxazol-3-yl]methanone;hydrochloride
CID 119381326
[5-(furan-2-yl)-1,2-oxazol-3-yl]-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylmethanone
CID 90565526
1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinolin-2-yl-(3-tert-butyl-5-methyl-1,2-oxazol-4-yl)methanone
CID 110629475
[5-(furan-2-yl)-1,2-oxazol-3-yl]-(3-methylsulfonylpyrrolidin-1-yl)methanone
CID 90584589
[3-(benzenesulfonyl)pyrrolidin-1-yl]-[5-(furan-2-yl)-1,2-oxazol-3-yl]methanone
CID 90584854
(3,5-dimethyl-4-phenylpiperazin-1-yl)-[5-(furan-2-yl)-1,2-oxazol-3-yl]methanone
CID 110616585
1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinolin-2-yl-(3-fluorophenyl)methanone
CID 110290825
[5-(furan-2-yl)-1,2-oxazol-3-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119493226
[5-(furan-2-yl)-1,2-oxazol-3-yl]-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 122334322
1-(1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinolin-2-yl)-2,2,2-trifluoroethanone
CID 78426240

Frequently Asked Questions

What is the IUPAC name of 1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinolin-2-yl-[5-(furan-2-yl)-1,2-oxazol-3-yl]methanone?
The IUPAC name of 1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinolin-2-yl-[5-(furan-2-yl)-1,2-oxazol-3-yl]methanone (CID 110308683) is 1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinolin-2-yl-[5-(furan-2-yl)-1,2-oxazol-3-yl]methanone.
What is the SMILES notation for 1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinolin-2-yl-[5-(furan-2-yl)-1,2-oxazol-3-yl]methanone?
The canonical SMILES for 1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinolin-2-yl-[5-(furan-2-yl)-1,2-oxazol-3-yl]methanone is O=C(c1cc(-c2ccco2)on1)N1CCN2CCc3ccccc3C2C1.
What is the InChIKey of 1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinolin-2-yl-[5-(furan-2-yl)-1,2-oxazol-3-yl]methanone?
The InChIKey is CXELGMPCAPADTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3/c24-20(16-12-19(26-21-16)18-6-3-11-25-18)23-10-9-22-8-7-14-4-1-2-5-15(14)17(22)13-23/h1-6,11-12,17H,7-10,13H2.
What are the key properties of 1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinolin-2-yl-[5-(furan-2-yl)-1,2-oxazol-3-yl]methanone?
1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinolin-2-yl-[5-(furan-2-yl)-1,2-oxazol-3-yl]methanone has a molecular weight of 349.39 g/mol, XLogP of 2.99, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinolin-2-yl-[5-(furan-2-yl)-1,2-oxazol-3-yl]methanone is sourced from PubChem (CID 110308683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).