4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-phenylisoquinolin-1-one

C23H14FN3O2 — CID 53034197

IUPAC4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-phenylisoquinolin-1-one
SMILESO=c1c2ccccc2c(-c2nc(-c3cccc(F)c3)no2)cn1-c1ccccc1
InChIInChI=1S/C23H14FN3O2/c24-16-8-6-7-15(13-16)21-25-22(29-26-21)20-14-27(17-9-2-1-3-10-17)23(28)19-12-5-4-11-18(19)20/h1-14H
InChIKeyFPTBKDXNKHJMNG-UHFFFAOYSA-N
MW383.38 g/mol
LogP4.85
Rot. Bonds3

About 4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-phenylisoquinolin-1-one

4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-phenylisoquinolin-1-one (PubChem CID 53034197) has the molecular formula C23H14FN3O2 and a molecular weight of 383.38 g/mol. Its IUPAC name is 4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-phenylisoquinolin-1-one.

Molecular Properties

Compound Name4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-phenylisoquinolin-1-one
PubChem CID53034197
Molecular FormulaC23H14FN3O2
Molecular Weight383.38 g/mol
Exact Mass383.11
IUPAC Name4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-phenylisoquinolin-1-one
SMILESO=c1c2ccccc2c(-c2nc(-c3cccc(F)c3)no2)cn1-c1ccccc1
InChIInChI=1S/C23H14FN3O2/c24-16-8-6-7-15(13-16)21-25-22(29-26-21)20-14-27(17-9-2-1-3-10-17)23(28)19-12-5-4-11-18(19)20/h1-14H
InChIKeyFPTBKDXNKHJMNG-UHFFFAOYSA-N
XLogP4.85
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.38
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-phenylisoquinolin-1-one
CID 53007308
2-(4-fluorophenyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)isoquinolin-1-one
CID 51364346
4-[3-(3,4-dimethylphenyl)-1,2,4-oxadiazol-5-yl]-2-phenylisoquinolin-1-one
CID 53082027
2-(3-fluorophenyl)-4-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]isoquinolin-1-one
CID 53082196
4-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-(3-fluorophenyl)isoquinolin-1-one
CID 53082181
2-(4-chlorophenyl)-4-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]isoquinolin-1-one
CID 51364376
4-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-(4-methylphenyl)isoquinolin-1-one
CID 51364299
4-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]-2-phenylisoquinolin-1-one
CID 53034201
4-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]-2-(4-fluorophenyl)isoquinolin-1-one
CID 53082170
2-(3-methylphenyl)-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)isoquinolin-1-one
CID 53082115
4-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]-2-(3-methylphenyl)isoquinolin-1-one
CID 53082116
4-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-(3,4-dimethylphenyl)isoquinolin-1-one
CID 53082139

Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-phenylisoquinolin-1-one?
The IUPAC name of 4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-phenylisoquinolin-1-one (CID 53034197) is 4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-phenylisoquinolin-1-one.
What is the SMILES notation for 4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-phenylisoquinolin-1-one?
The canonical SMILES for 4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-phenylisoquinolin-1-one is O=c1c2ccccc2c(-c2nc(-c3cccc(F)c3)no2)cn1-c1ccccc1.
What is the InChIKey of 4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-phenylisoquinolin-1-one?
The InChIKey is FPTBKDXNKHJMNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14FN3O2/c24-16-8-6-7-15(13-16)21-25-22(29-26-21)20-14-27(17-9-2-1-3-10-17)23(28)19-12-5-4-11-18(19)20/h1-14H.
What are the key properties of 4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-phenylisoquinolin-1-one?
4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-phenylisoquinolin-1-one has a molecular weight of 383.38 g/mol, XLogP of 4.85, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-phenylisoquinolin-1-one is sourced from PubChem (CID 53034197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).