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

C19H17FN2O2 — CID 6622781

IUPAC3,4-dihydro-2H-quinolin-1-yl-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone
SMILESO=C(C1CC(c2ccc(F)cc2)=NO1)N1CCCc2ccccc21
InChIInChI=1S/C19H17FN2O2/c20-15-9-7-13(8-10-15)16-12-18(24-21-16)19(23)22-11-3-5-14-4-1-2-6-17(14)22/h1-2,4,6-10,18H,3,5,11-12H2
InChIKeyCJDKMXZXFFBQTI-UHFFFAOYSA-N
MW324.36 g/mol
LogP3.30
Rot. Bonds2

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

3,4-dihydro-2H-quinolin-1-yl-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone (PubChem CID 6622781) has the molecular formula C19H17FN2O2 and a molecular weight of 324.36 g/mol. Its IUPAC name is 3,4-dihydro-2H-quinolin-1-yl-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-quinolin-1-yl-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone
PubChem CID6622781
Molecular FormulaC19H17FN2O2
Molecular Weight324.36 g/mol
Exact Mass324.13
IUPAC Name3,4-dihydro-2H-quinolin-1-yl-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone
SMILESO=C(C1CC(c2ccc(F)cc2)=NO1)N1CCCc2ccccc21
InChIInChI=1S/C19H17FN2O2/c20-15-9-7-13(8-10-15)16-12-18(24-21-16)19(23)22-11-3-5-14-4-1-2-6-17(14)22/h1-2,4,6-10,18H,3,5,11-12H2
InChIKeyCJDKMXZXFFBQTI-UHFFFAOYSA-N
XLogP3.30
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

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Related Compounds

3-(4-fluorophenyl)-N-(4-methylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 3236938
[3-(4-Fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl](4-phenylpiperazin-1-yl)methanone
CID 5309305
(4-Benzylpiperazin-1-yl)[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone
CID 5309483
N-(2-ethylphenyl)-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 9550381
3,4-dihydro-1H-isoquinolin-2-yl-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone
CID 5309929
1-[3-(4-Dimethylamino-phenyl)-4,5-dihydro-isoxazol-5-ylmethyl]-4-methyl-1H-quinolin-2-one
CID 4889687
3-(4-fluorophenyl)-N-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 17095750
N-(2,4-difluorophenyl)-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 17095754
3-(4-fluorophenyl)-N-methyl-N-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 17095771
N-(2-ethylphenyl)-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 17095776
3-(2-fluorophenyl)-N-(4-methylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 17095794
1-[3-(2-Fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]-4-phenylpiperazine
CID 17095801

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-quinolin-1-yl-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone?
The IUPAC name of 3,4-dihydro-2H-quinolin-1-yl-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone (CID 6622781) is 3,4-dihydro-2H-quinolin-1-yl-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone.
What is the SMILES notation for 3,4-dihydro-2H-quinolin-1-yl-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone?
The canonical SMILES for 3,4-dihydro-2H-quinolin-1-yl-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone is O=C(C1CC(c2ccc(F)cc2)=NO1)N1CCCc2ccccc21.
What is the InChIKey of 3,4-dihydro-2H-quinolin-1-yl-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone?
The InChIKey is CJDKMXZXFFBQTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O2/c20-15-9-7-13(8-10-15)16-12-18(24-21-16)19(23)22-11-3-5-14-4-1-2-6-17(14)22/h1-2,4,6-10,18H,3,5,11-12H2.
What are the key properties of 3,4-dihydro-2H-quinolin-1-yl-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone?
3,4-dihydro-2H-quinolin-1-yl-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone has a molecular weight of 324.36 g/mol, XLogP of 3.30, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-quinolin-1-yl-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone is sourced from PubChem (CID 6622781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).