2-(2-phenyl-1,3-oxazol-4-yl)-1-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]ethanone

C21H17F3N2O3 — CID 55671842

IUPAC2-(2-phenyl-1,3-oxazol-4-yl)-1-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]ethanone
SMILESO=C(Cc1coc(-c2ccccc2)n1)N1CCCc2cc(OC(F)(F)F)ccc21
InChIInChI=1S/C21H17F3N2O3/c22-21(23,24)29-17-8-9-18-15(11-17)7-4-10-26(18)19(27)12-16-13-28-20(25-16)14-5-2-1-3-6-14/h1-3,5-6,8-9,11,13H,4,7,10,12H2
InChIKeyIBSNHWAGEWEIAH-UHFFFAOYSA-N
MW402.37 g/mol
LogP4.76
Rot. Bonds4

About 2-(2-phenyl-1,3-oxazol-4-yl)-1-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]ethanone

2-(2-phenyl-1,3-oxazol-4-yl)-1-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]ethanone (PubChem CID 55671842) has the molecular formula C21H17F3N2O3 and a molecular weight of 402.37 g/mol. Its IUPAC name is 2-(2-phenyl-1,3-oxazol-4-yl)-1-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-phenyl-1,3-oxazol-4-yl)-1-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]ethanone
PubChem CID55671842
Molecular FormulaC21H17F3N2O3
Molecular Weight402.37 g/mol
Exact Mass402.12
IUPAC Name2-(2-phenyl-1,3-oxazol-4-yl)-1-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]ethanone
SMILESO=C(Cc1coc(-c2ccccc2)n1)N1CCCc2cc(OC(F)(F)F)ccc21
InChIInChI=1S/C21H17F3N2O3/c22-21(23,24)29-17-8-9-18-15(11-17)7-4-10-26(18)19(27)12-16-13-28-20(25-16)14-5-2-1-3-6-14/h1-3,5-6,8-9,11,13H,4,7,10,12H2
InChIKeyIBSNHWAGEWEIAH-UHFFFAOYSA-N
XLogP4.76
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.37
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(2-phenyl-1,3-oxazol-4-yl)-1-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]ethanone with MolForge

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Related Compounds

1-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]ethanone
CID 55775034
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetate
CID 60611695
[2-[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]-2-oxoethyl] 2-(2-phenyl-1,3-oxazol-4-yl)acetate
CID 55449581
2,2-dimethyl-3-oxo-3-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]propanenitrile
CID 60530285
(5-methyl-1-phenylpyrazol-3-yl)-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 55760844
1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-[3-(trifluoromethoxy)anilino]ethanone
CID 55542143
N-(4-methylphenyl)-2-[2-oxo-2-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]ethyl]sulfanylacetamide
CID 55671719
1-morpholin-4-yl-2-(2-phenyl-1,3-oxazol-4-yl)ethanone
CID 38549400
N,N-diethyl-1-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 55513246
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-phenylphenoxy)ethanone
CID 2788983
3a-methyl-4-[2-oxo-2-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]ethyl]-2,3-dihydropyrrolo[1,2-a]quinazoline-1,5-dione
CID 55671393
4-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinoline-1-carbonyl]pyridine-2-carbonitrile
CID 99837253

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenyl-1,3-oxazol-4-yl)-1-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]ethanone?
The IUPAC name of 2-(2-phenyl-1,3-oxazol-4-yl)-1-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]ethanone (CID 55671842) is 2-(2-phenyl-1,3-oxazol-4-yl)-1-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]ethanone.
What is the SMILES notation for 2-(2-phenyl-1,3-oxazol-4-yl)-1-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]ethanone?
The canonical SMILES for 2-(2-phenyl-1,3-oxazol-4-yl)-1-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]ethanone is O=C(Cc1coc(-c2ccccc2)n1)N1CCCc2cc(OC(F)(F)F)ccc21.
What is the InChIKey of 2-(2-phenyl-1,3-oxazol-4-yl)-1-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]ethanone?
The InChIKey is IBSNHWAGEWEIAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F3N2O3/c22-21(23,24)29-17-8-9-18-15(11-17)7-4-10-26(18)19(27)12-16-13-28-20(25-16)14-5-2-1-3-6-14/h1-3,5-6,8-9,11,13H,4,7,10,12H2.
What are the key properties of 2-(2-phenyl-1,3-oxazol-4-yl)-1-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]ethanone?
2-(2-phenyl-1,3-oxazol-4-yl)-1-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]ethanone has a molecular weight of 402.37 g/mol, XLogP of 4.76, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenyl-1,3-oxazol-4-yl)-1-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]ethanone is sourced from PubChem (CID 55671842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).