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

C20H17FN2O2 — CID 16878805

IUPAC1-(3,4-dihydro-2H-quinolin-1-yl)-2-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]ethanone
SMILESO=C(Cc1cc(-c2ccc(F)cc2)on1)N1CCCc2ccccc21
InChIInChI=1S/C20H17FN2O2/c21-16-9-7-15(8-10-16)19-12-17(22-25-19)13-20(24)23-11-3-5-14-4-1-2-6-18(14)23/h1-2,4,6-10,12H,3,5,11,13H2
InChIKeySCUZUUHFSAWHPE-UHFFFAOYSA-N
MW336.37 g/mol
LogP4.00
Rot. Bonds3

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

1-(3,4-dihydro-2H-quinolin-1-yl)-2-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]ethanone (PubChem CID 16878805) has the molecular formula C20H17FN2O2 and a molecular weight of 336.37 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]ethanone.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-quinolin-1-yl)-2-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]ethanone
PubChem CID16878805
Molecular FormulaC20H17FN2O2
Molecular Weight336.37 g/mol
Exact Mass336.13
IUPAC Name1-(3,4-dihydro-2H-quinolin-1-yl)-2-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]ethanone
SMILESO=C(Cc1cc(-c2ccc(F)cc2)on1)N1CCCc2ccccc21
InChIInChI=1S/C20H17FN2O2/c21-16-9-7-15(8-10-16)19-12-17(22-25-19)13-20(24)23-11-3-5-14-4-1-2-6-18(14)23/h1-2,4,6-10,12H,3,5,11,13H2
InChIKeySCUZUUHFSAWHPE-UHFFFAOYSA-N
XLogP4.00
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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]ethanone?
The IUPAC name of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]ethanone (CID 16878805) is 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]ethanone.
What is the SMILES notation for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]ethanone?
The canonical SMILES for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]ethanone is O=C(Cc1cc(-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]ethanone?
The InChIKey is SCUZUUHFSAWHPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2O2/c21-16-9-7-15(8-10-16)19-12-17(22-25-19)13-20(24)23-11-3-5-14-4-1-2-6-18(14)23/h1-2,4,6-10,12H,3,5,11,13H2.
What are the key properties of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]ethanone?
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]ethanone has a molecular weight of 336.37 g/mol, XLogP of 4.00, 3 rotatable bonds, 0 hydrogen bond donors, and 3 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]ethanone is sourced from PubChem (CID 16878805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).