2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-1-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone

C21H18ClFN2O2 — CID 16878635

IUPAC2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-1-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
SMILESCC1CCc2cc(F)ccc2N1C(=O)Cc1cc(-c2ccc(Cl)cc2)on1
InChIInChI=1S/C21H18ClFN2O2/c1-13-2-3-15-10-17(23)8-9-19(15)25(13)21(26)12-18-11-20(27-24-18)14-4-6-16(22)7-5-14/h4-11,13H,2-3,12H2,1H3
InChIKeyWPBSDUZMDDPMJU-UHFFFAOYSA-N
MW384.84 g/mol
LogP5.04
Rot. Bonds3

About 2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-1-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone

2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-1-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone (PubChem CID 16878635) has the molecular formula C21H18ClFN2O2 and a molecular weight of 384.84 g/mol. Its IUPAC name is 2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-1-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone.

Molecular Properties

Compound Name2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-1-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
PubChem CID16878635
Molecular FormulaC21H18ClFN2O2
Molecular Weight384.84 g/mol
Exact Mass384.10
IUPAC Name2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-1-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
SMILESCC1CCc2cc(F)ccc2N1C(=O)Cc1cc(-c2ccc(Cl)cc2)on1
InChIInChI=1S/C21H18ClFN2O2/c1-13-2-3-15-10-17(23)8-9-19(15)25(13)21(26)12-18-11-20(27-24-18)14-4-6-16(22)7-5-14/h4-11,13H,2-3,12H2,1H3
InChIKeyWPBSDUZMDDPMJU-UHFFFAOYSA-N
XLogP5.04
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.84
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-1-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone with MolForge

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Related Compounds

2-(4-chlorophenyl)-1-[(2R)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 40591218
2-(5-chloro-6-methyl-1-benzofuran-3-yl)-1-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 18871990
2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-1-(3-methylpiperidin-1-yl)ethanone
CID 16878575
(2,5-dichlorophenyl)-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 4181075
3-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropanenitrile
CID 4107945
1-(4-acetylpiperazin-1-yl)-2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]ethanone
CID 16878729
1-(2,6-dimethylmorpholin-4-yl)-2-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]ethanone
CID 16878754
(3,4-dichlorophenyl)-[(2S)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 873798
2-(3,4-dimethoxyphenyl)-1-[(2R)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 40599402
1-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)heptan-1-one
CID 5220666
1-[2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]acetyl]piperidine-4-carboxamide
CID 16878731
2-[2-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]isoindole-1,3-dione
CID 2932548

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-1-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone?
The IUPAC name of 2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-1-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone (CID 16878635) is 2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-1-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone.
What is the SMILES notation for 2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-1-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone?
The canonical SMILES for 2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-1-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone is CC1CCc2cc(F)ccc2N1C(=O)Cc1cc(-c2ccc(Cl)cc2)on1.
What is the InChIKey of 2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-1-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone?
The InChIKey is WPBSDUZMDDPMJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClFN2O2/c1-13-2-3-15-10-17(23)8-9-19(15)25(13)21(26)12-18-11-20(27-24-18)14-4-6-16(22)7-5-14/h4-11,13H,2-3,12H2,1H3.
What are the key properties of 2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-1-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone?
2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-1-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone has a molecular weight of 384.84 g/mol, XLogP of 5.04, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-1-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone is sourced from PubChem (CID 16878635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).