2-[5-(3-fluorophenyl)-1,3-oxazol-2-yl]-6,6-dimethyl-7,8-dihydroquinolin-5-one

C20H17FN2O2 — CID 11522873

IUPAC2-[5-(3-fluorophenyl)-1,3-oxazol-2-yl]-6,6-dimethyl-7,8-dihydroquinolin-5-one
SMILESCC1(C)CCc2nc(-c3ncc(-c4cccc(F)c4)o3)ccc2C1=O
InChIInChI=1S/C20H17FN2O2/c1-20(2)9-8-15-14(18(20)24)6-7-16(23-15)19-22-11-17(25-19)12-4-3-5-13(21)10-12/h3-7,10-11H,8-9H2,1-2H3
InChIKeyOFMPQOKZDKDLHV-UHFFFAOYSA-N
MW336.37 g/mol
LogP4.70
Rot. Bonds2

About 2-[5-(3-fluorophenyl)-1,3-oxazol-2-yl]-6,6-dimethyl-7,8-dihydroquinolin-5-one

2-[5-(3-fluorophenyl)-1,3-oxazol-2-yl]-6,6-dimethyl-7,8-dihydroquinolin-5-one (PubChem CID 11522873) has the molecular formula C20H17FN2O2 and a molecular weight of 336.37 g/mol. Its IUPAC name is 2-[5-(3-fluorophenyl)-1,3-oxazol-2-yl]-6,6-dimethyl-7,8-dihydroquinolin-5-one.

Molecular Properties

Compound Name2-[5-(3-fluorophenyl)-1,3-oxazol-2-yl]-6,6-dimethyl-7,8-dihydroquinolin-5-one
PubChem CID11522873
Molecular FormulaC20H17FN2O2
Molecular Weight336.37 g/mol
Exact Mass336.13
IUPAC Name2-[5-(3-fluorophenyl)-1,3-oxazol-2-yl]-6,6-dimethyl-7,8-dihydroquinolin-5-one
SMILESCC1(C)CCc2nc(-c3ncc(-c4cccc(F)c4)o3)ccc2C1=O
InChIInChI=1S/C20H17FN2O2/c1-20(2)9-8-15-14(18(20)24)6-7-16(23-15)19-22-11-17(25-19)12-4-3-5-13(21)10-12/h3-7,10-11H,8-9H2,1-2H3
InChIKeyOFMPQOKZDKDLHV-UHFFFAOYSA-N
XLogP4.70
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(3-fluorophenyl)-1,3-oxazol-2-yl]-6,6-dimethyl-7,8-dihydroquinolin-5-one?
The IUPAC name of 2-[5-(3-fluorophenyl)-1,3-oxazol-2-yl]-6,6-dimethyl-7,8-dihydroquinolin-5-one (CID 11522873) is 2-[5-(3-fluorophenyl)-1,3-oxazol-2-yl]-6,6-dimethyl-7,8-dihydroquinolin-5-one.
What is the SMILES notation for 2-[5-(3-fluorophenyl)-1,3-oxazol-2-yl]-6,6-dimethyl-7,8-dihydroquinolin-5-one?
The canonical SMILES for 2-[5-(3-fluorophenyl)-1,3-oxazol-2-yl]-6,6-dimethyl-7,8-dihydroquinolin-5-one is CC1(C)CCc2nc(-c3ncc(-c4cccc(F)c4)o3)ccc2C1=O.
What is the InChIKey of 2-[5-(3-fluorophenyl)-1,3-oxazol-2-yl]-6,6-dimethyl-7,8-dihydroquinolin-5-one?
The InChIKey is OFMPQOKZDKDLHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2O2/c1-20(2)9-8-15-14(18(20)24)6-7-16(23-15)19-22-11-17(25-19)12-4-3-5-13(21)10-12/h3-7,10-11H,8-9H2,1-2H3.
What are the key properties of 2-[5-(3-fluorophenyl)-1,3-oxazol-2-yl]-6,6-dimethyl-7,8-dihydroquinolin-5-one?
2-[5-(3-fluorophenyl)-1,3-oxazol-2-yl]-6,6-dimethyl-7,8-dihydroquinolin-5-one has a molecular weight of 336.37 g/mol, XLogP of 4.70, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3-fluorophenyl)-1,3-oxazol-2-yl]-6,6-dimethyl-7,8-dihydroquinolin-5-one is sourced from PubChem (CID 11522873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).