(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-(5-phenyl-1,2-oxazol-3-yl)methanone

C19H15FN2O2 — CID 95930576

IUPAC(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-(5-phenyl-1,2-oxazol-3-yl)methanone
SMILESO=C(c1cc(-c2ccccc2)on1)N1CCCc2cccc(F)c21
InChIInChI=1S/C19H15FN2O2/c20-15-10-4-8-14-9-5-11-22(18(14)15)19(23)16-12-17(24-21-16)13-6-2-1-3-7-13/h1-4,6-8,10,12H,5,9,11H2
InChIKeyYQLAOSJKEBWWGC-UHFFFAOYSA-N
MW322.34 g/mol
LogP4.07
Rot. Bonds2

About (8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-(5-phenyl-1,2-oxazol-3-yl)methanone

(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-(5-phenyl-1,2-oxazol-3-yl)methanone (PubChem CID 95930576) has the molecular formula C19H15FN2O2 and a molecular weight of 322.34 g/mol. Its IUPAC name is (8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-(5-phenyl-1,2-oxazol-3-yl)methanone.

Molecular Properties

Compound Name(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-(5-phenyl-1,2-oxazol-3-yl)methanone
PubChem CID95930576
Molecular FormulaC19H15FN2O2
Molecular Weight322.34 g/mol
Exact Mass322.11
IUPAC Name(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-(5-phenyl-1,2-oxazol-3-yl)methanone
SMILESO=C(c1cc(-c2ccccc2)on1)N1CCCc2cccc(F)c21
InChIInChI=1S/C19H15FN2O2/c20-15-10-4-8-14-9-5-11-22(18(14)15)19(23)16-12-17(24-21-16)13-6-2-1-3-7-13/h1-4,6-8,10,12H,5,9,11H2
InChIKeyYQLAOSJKEBWWGC-UHFFFAOYSA-N
XLogP4.07
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.34
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-(5-phenyl-1,2-oxazol-3-yl)methanone with MolForge

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Related Compounds

(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-(6-methyl-2-pyridinyl)methanone
CID 134002037
(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-pyrazin-2-ylmethanone
CID 110744006
3-(8-fluoro-3,4-dihydro-2H-quinoline-1-carbonyl)-1H-pyridazin-6-one
CID 110744009
(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-[5-(methoxymethyl)-1,2-oxazol-3-yl]methanone
CID 66156167
(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-(3-fluoro-4-methoxyphenyl)methanone
CID 78843598
[2-(hydroxymethyl)pyrrolidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 61411316
[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 79410077
(2,6-dimethylpiperidin-1-yl)-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 3158157
(2-methylpiperidin-1-yl)-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 3158156
(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-phenylmethanone
CID 15267724
4-hydroxy-1-(5-phenyl-1,2-oxazole-3-carbonyl)piperidine-4-carboxylic acid
CID 119251838
1-(5-phenyl-1,2-oxazole-3-carbonyl)-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-one
CID 4775686

Frequently Asked Questions

What is the IUPAC name of (8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-(5-phenyl-1,2-oxazol-3-yl)methanone?
The IUPAC name of (8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-(5-phenyl-1,2-oxazol-3-yl)methanone (CID 95930576) is (8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-(5-phenyl-1,2-oxazol-3-yl)methanone.
What is the SMILES notation for (8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-(5-phenyl-1,2-oxazol-3-yl)methanone?
The canonical SMILES for (8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-(5-phenyl-1,2-oxazol-3-yl)methanone is O=C(c1cc(-c2ccccc2)on1)N1CCCc2cccc(F)c21.
What is the InChIKey of (8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-(5-phenyl-1,2-oxazol-3-yl)methanone?
The InChIKey is YQLAOSJKEBWWGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN2O2/c20-15-10-4-8-14-9-5-11-22(18(14)15)19(23)16-12-17(24-21-16)13-6-2-1-3-7-13/h1-4,6-8,10,12H,5,9,11H2.
What are the key properties of (8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-(5-phenyl-1,2-oxazol-3-yl)methanone?
(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-(5-phenyl-1,2-oxazol-3-yl)methanone has a molecular weight of 322.34 g/mol, XLogP of 4.07, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-(5-phenyl-1,2-oxazol-3-yl)methanone is sourced from PubChem (CID 95930576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).