3,4-dihydro-1H-isoquinolin-2-yl(1,2-oxazol-5-yl)methanone;trifluoromethylbenzene

C20H17F3N2O2 — CID 143814596

IUPAC3,4-dihydro-1H-isoquinolin-2-yl(1,2-oxazol-5-yl)methanone;trifluoromethylbenzene
SMILESFC(F)(F)c1ccccc1.O=C(c1ccno1)N1CCc2ccccc2C1
InChIInChI=1S/C13H12N2O2.C7H5F3/c16-13(12-5-7-14-17-12)15-8-6-10-3-1-2-4-11(10)9-15;8-7(9,10)6-4-2-1-3-5-6/h1-5,7H,6,8-9H2;1-5H
InChIKeyFXSLCXXNMGYVIK-UHFFFAOYSA-N
MW374.36 g/mol
LogP4.58
Rot. Bonds1

About 3,4-dihydro-1H-isoquinolin-2-yl(1,2-oxazol-5-yl)methanone;trifluoromethylbenzene

3,4-dihydro-1H-isoquinolin-2-yl(1,2-oxazol-5-yl)methanone;trifluoromethylbenzene (PubChem CID 143814596) has the molecular formula C20H17F3N2O2 and a molecular weight of 374.36 g/mol. Its IUPAC name is 3,4-dihydro-1H-isoquinolin-2-yl(1,2-oxazol-5-yl)methanone;trifluoromethylbenzene.

Molecular Properties

Compound Name3,4-dihydro-1H-isoquinolin-2-yl(1,2-oxazol-5-yl)methanone;trifluoromethylbenzene
PubChem CID143814596
Molecular FormulaC20H17F3N2O2
Molecular Weight374.36 g/mol
Exact Mass374.12
IUPAC Name3,4-dihydro-1H-isoquinolin-2-yl(1,2-oxazol-5-yl)methanone;trifluoromethylbenzene
SMILESFC(F)(F)c1ccccc1.O=C(c1ccno1)N1CCc2ccccc2C1
InChIInChI=1S/C13H12N2O2.C7H5F3/c16-13(12-5-7-14-17-12)15-8-6-10-3-1-2-4-11(10)9-15;8-7(9,10)6-4-2-1-3-5-6/h1-5,7H,6,8-9H2;1-5H
InChIKeyFXSLCXXNMGYVIK-UHFFFAOYSA-N
XLogP4.58
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.36
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3,4-dihydro-1H-isoquinolin-2-yl(1,2-oxazol-5-yl)methanone;trifluoromethylbenzene with MolForge

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Related Compounds

(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-(1,2-oxazol-5-yl)methanone
CID 61328701
5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1,2-oxazole-3-carboxylic acid
CID 117218050
3,4-dihydro-1H-isoquinolin-2-yl-[2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methanone
CID 84558081
3,4-dihydro-1H-isoquinolin-2-yl(1,3-oxazol-5-yl)methanone
CID 96587626
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2,2,2-trifluoroethanone
CID 615216
[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] 2-[4-(trifluoromethyl)phenyl]acetate
CID 55459920
3,4-dihydro-1H-isoquinolin-2-yl-(3-fluoro-2-pyridinyl)methanone
CID 110474832
3,4-dihydro-1H-isoquinolin-2-yl-(4-methylfuran-2-yl)methanone
CID 110852371
N-[(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl]-4-(trifluoromethyl)benzamide
CID 110347682
3,4-dihydro-1H-isoquinolin-2-yl-(2-fluorophenyl)methanone
CID 669198
(2,6-difluorophenyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 890837
3,4-dihydro-1H-isoquinolin-2-yl(pyridazin-3-yl)methanone
CID 110852369

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-1H-isoquinolin-2-yl(1,2-oxazol-5-yl)methanone;trifluoromethylbenzene?
The IUPAC name of 3,4-dihydro-1H-isoquinolin-2-yl(1,2-oxazol-5-yl)methanone;trifluoromethylbenzene (CID 143814596) is 3,4-dihydro-1H-isoquinolin-2-yl(1,2-oxazol-5-yl)methanone;trifluoromethylbenzene.
What is the SMILES notation for 3,4-dihydro-1H-isoquinolin-2-yl(1,2-oxazol-5-yl)methanone;trifluoromethylbenzene?
The canonical SMILES for 3,4-dihydro-1H-isoquinolin-2-yl(1,2-oxazol-5-yl)methanone;trifluoromethylbenzene is FC(F)(F)c1ccccc1.O=C(c1ccno1)N1CCc2ccccc2C1.
What is the InChIKey of 3,4-dihydro-1H-isoquinolin-2-yl(1,2-oxazol-5-yl)methanone;trifluoromethylbenzene?
The InChIKey is FXSLCXXNMGYVIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2.C7H5F3/c16-13(12-5-7-14-17-12)15-8-6-10-3-1-2-4-11(10)9-15;8-7(9,10)6-4-2-1-3-5-6/h1-5,7H,6,8-9H2;1-5H.
What are the key properties of 3,4-dihydro-1H-isoquinolin-2-yl(1,2-oxazol-5-yl)methanone;trifluoromethylbenzene?
3,4-dihydro-1H-isoquinolin-2-yl(1,2-oxazol-5-yl)methanone;trifluoromethylbenzene has a molecular weight of 374.36 g/mol, XLogP of 4.58, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-1H-isoquinolin-2-yl(1,2-oxazol-5-yl)methanone;trifluoromethylbenzene is sourced from PubChem (CID 143814596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).