1-(3,4-dihydro-2H-quinolin-1-yl)-2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]ethanone

C21H19FN2O3 — CID 20906228

IUPAC1-(3,4-dihydro-2H-quinolin-1-yl)-2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]ethanone
SMILESO=C(COCc1cc(-c2ccc(F)cc2)on1)N1CCCc2ccccc21
InChIInChI=1S/C21H19FN2O3/c22-17-9-7-16(8-10-17)20-12-18(23-27-20)13-26-14-21(25)24-11-3-5-15-4-1-2-6-19(15)24/h1-2,4,6-10,12H,3,5,11,13-14H2
InChIKeyWFBZPIKUOXMNIF-UHFFFAOYSA-N
MW366.39 g/mol
LogP3.98
Rot. Bonds5

About 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]ethanone

1-(3,4-dihydro-2H-quinolin-1-yl)-2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]ethanone (PubChem CID 20906228) has the molecular formula C21H19FN2O3 and a molecular weight of 366.39 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]ethanone.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-quinolin-1-yl)-2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]ethanone
PubChem CID20906228
Molecular FormulaC21H19FN2O3
Molecular Weight366.39 g/mol
Exact Mass366.14
IUPAC Name1-(3,4-dihydro-2H-quinolin-1-yl)-2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]ethanone
SMILESO=C(COCc1cc(-c2ccc(F)cc2)on1)N1CCCc2ccccc21
InChIInChI=1S/C21H19FN2O3/c22-17-9-7-16(8-10-17)20-12-18(23-27-20)13-26-14-21(25)24-11-3-5-15-4-1-2-6-19(15)24/h1-2,4,6-10,12H,3,5,11,13-14H2
InChIKeyWFBZPIKUOXMNIF-UHFFFAOYSA-N
XLogP3.98
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.39
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]ethanone with MolForge

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Related Compounds

1-(2,3-dihydroindol-1-yl)-2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]ethanone
CID 17254087
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]ethanone
CID 2361983
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]ethanone
CID 16878976
2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]-N-methylacetamide
CID 20906254
2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]-N-(3-phenylpropyl)acetamide
CID 17254071
2-[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]-1-(2,3-dihydroindol-1-yl)ethanone
CID 27375820
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-chloro-5-fluorobenzoate
CID 71823603
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(4-fluorophenyl)pyrazol-1-yl]ethanone
CID 71801680
5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-(4-fluorophenyl)pyrazolo[1,5-d][1,2,4]triazin-4-one
CID 29279136
1-(2,3-dihydroindol-1-yl)-2-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]ethanone
CID 3405769
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 3-(4-fluorophenyl)butanoate
CID 60541629
3-(3,4-dihydro-2H-quinolin-1-yl)-N-(4-fluorophenyl)-3-oxopropanamide
CID 108953370

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]ethanone?
The IUPAC name of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]ethanone (CID 20906228) is 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]ethanone.
What is the SMILES notation for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]ethanone?
The canonical SMILES for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]ethanone is O=C(COCc1cc(-c2ccc(F)cc2)on1)N1CCCc2ccccc21.
What is the InChIKey of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]ethanone?
The InChIKey is WFBZPIKUOXMNIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN2O3/c22-17-9-7-16(8-10-17)20-12-18(23-27-20)13-26-14-21(25)24-11-3-5-15-4-1-2-6-19(15)24/h1-2,4,6-10,12H,3,5,11,13-14H2.
What are the key properties of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]ethanone?
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]ethanone has a molecular weight of 366.39 g/mol, XLogP of 3.98, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]ethanone is sourced from PubChem (CID 20906228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).