1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]ethanone

C17H21N3O2 — CID 36966243

IUPAC1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]ethanone
SMILESCc1cc(CN(C)CC(=O)N2CCc3ccccc3C2)no1
InChIInChI=1S/C17H21N3O2/c1-13-9-16(18-22-13)11-19(2)12-17(21)20-8-7-14-5-3-4-6-15(14)10-20/h3-6,9H,7-8,10-12H2,1-2H3
InChIKeyZTEQTKSGYFUZGV-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.00
Rot. Bonds4

About 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]ethanone

1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]ethanone (PubChem CID 36966243) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]ethanone.

Molecular Properties

Compound Name1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]ethanone
PubChem CID36966243
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]ethanone
SMILESCc1cc(CN(C)CC(=O)N2CCc3ccccc3C2)no1
InChIInChI=1S/C17H21N3O2/c1-13-9-16(18-22-13)11-19(2)12-17(21)20-8-7-14-5-3-4-6-15(14)10-20/h3-6,9H,7-8,10-12H2,1-2H3
InChIKeyZTEQTKSGYFUZGV-UHFFFAOYSA-N
XLogP2.00
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]ethanone with MolForge

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Related Compounds

N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-N-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide
CID 113157768
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(dimethylamino)ethanone
CID 4016207
2-[3-aminopropyl(methyl)amino]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 81493173
2-[butyl(methyl)amino]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 78791109
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]ethanone
CID 115637892
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[methyl-[(2-piperidin-1-ylphenyl)methyl]amino]ethanone
CID 27101948
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-N-methylmethanesulfonamide
CID 30464642
2-[benzhydryl(methyl)amino]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 27071730
2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide
CID 109137578
2-[benzyl(ethyl)amino]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 108998886
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-N-(3,4-dimethylphenyl)acetamide
CID 113168278
2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]-N-(phenylcarbamoyl)acetamide
CID 36968374

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]ethanone?
The IUPAC name of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]ethanone (CID 36966243) is 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]ethanone.
What is the SMILES notation for 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]ethanone?
The canonical SMILES for 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]ethanone is Cc1cc(CN(C)CC(=O)N2CCc3ccccc3C2)no1.
What is the InChIKey of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]ethanone?
The InChIKey is ZTEQTKSGYFUZGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-13-9-16(18-22-13)11-19(2)12-17(21)20-8-7-14-5-3-4-6-15(14)10-20/h3-6,9H,7-8,10-12H2,1-2H3.
What are the key properties of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]ethanone?
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]ethanone has a molecular weight of 299.37 g/mol, XLogP of 2.00, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]ethanone is sourced from PubChem (CID 36966243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).