3-benzyl-2-(4-fluorophenyl)-6-methyl-2H-1,3-oxazin-4-one

C18H16FNO2 — CID 132969069

IUPAC3-benzyl-2-(4-fluorophenyl)-6-methyl-2H-1,3-oxazin-4-one
SMILESCC1=CC(=O)N(Cc2ccccc2)C(c2ccc(F)cc2)O1
InChIInChI=1S/C18H16FNO2/c1-13-11-17(21)20(12-14-5-3-2-4-6-14)18(22-13)15-7-9-16(19)10-8-15/h2-11,18H,12H2,1H3
InChIKeyKHYMYCXYEIKQHW-UHFFFAOYSA-N
MW297.33 g/mol
LogP3.79
Rot. Bonds3

About 3-benzyl-2-(4-fluorophenyl)-6-methyl-2H-1,3-oxazin-4-one

3-benzyl-2-(4-fluorophenyl)-6-methyl-2H-1,3-oxazin-4-one (PubChem CID 132969069) has the molecular formula C18H16FNO2 and a molecular weight of 297.33 g/mol. Its IUPAC name is 3-benzyl-2-(4-fluorophenyl)-6-methyl-2H-1,3-oxazin-4-one.

Molecular Properties

Compound Name3-benzyl-2-(4-fluorophenyl)-6-methyl-2H-1,3-oxazin-4-one
PubChem CID132969069
Molecular FormulaC18H16FNO2
Molecular Weight297.33 g/mol
Exact Mass297.12
IUPAC Name3-benzyl-2-(4-fluorophenyl)-6-methyl-2H-1,3-oxazin-4-one
SMILESCC1=CC(=O)N(Cc2ccccc2)C(c2ccc(F)cc2)O1
InChIInChI=1S/C18H16FNO2/c1-13-11-17(21)20(12-14-5-3-2-4-6-14)18(22-13)15-7-9-16(19)10-8-15/h2-11,18H,12H2,1H3
InChIKeyKHYMYCXYEIKQHW-UHFFFAOYSA-N
XLogP3.79
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.33
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-4-(benzyloxy)-3-bromopyridin-2(1H)-one
CID 10126288
3-bromo-1-(3-fluorobenzyl)-4-(4-fluorobenzyloxy)pyridin-2(1H)-one
CID 10194381
3-bromo-4-(2,4-difluorobenzyloxy)-1-(3-fluorobenzyl)pyridin-2(1H)-one
CID 10216550
1-benzyl-4-(benzyloxy)-3-chloropyridin-2(1H)-one
CID 10236731
1-(3-(aminomethyl)benzyl)-3-bromo-4-(2,4-difluorobenzyloxy)-6-methylpyridin-2(1H)-one
CID 11155124
1-(4-(aminomethyl)benzyl)-3-bromo-4-(2,4-difluorobenzyloxy)-6-methylpyridin-2(1H)-one
CID 11178413
3-bromo-4-(2,4-difluorobenzyloxy)-1-(4-((dimethylamino)methyl)benzyl)-6-methylpyridin-2(1H)-one
CID 22050722
3-bromo-4-(2,4-difluorobenzyloxy)-1-(3-((dimethylamino)methyl)benzyl)-6-methylpyridin-2(1H)-one
CID 22050741
4-(4-fluorobenzyloxy)-1-(4-((propylamino)methyl)phenethyl)pyridin-2(1H)-one
CID 44469273
1-(4-((cyclopentyl(propyl)amino)methyl)phenethyl)-4-(4-fluorobenzyloxy)pyridin-2(1H)-one
CID 45487283
1-(4-((ethyl(propyl)amino)methyl)phenethyl)-4-(4-fluorobenzyloxy)pyridin-2(1H)-one
CID 45487284
4-(4-fluorobenzyloxy)-1-(4-((methyl(propyl)amino)methyl)phenethyl)pyridin-2(1H)-one
CID 45487309

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-2-(4-fluorophenyl)-6-methyl-2H-1,3-oxazin-4-one?
The IUPAC name of 3-benzyl-2-(4-fluorophenyl)-6-methyl-2H-1,3-oxazin-4-one (CID 132969069) is 3-benzyl-2-(4-fluorophenyl)-6-methyl-2H-1,3-oxazin-4-one.
What is the SMILES notation for 3-benzyl-2-(4-fluorophenyl)-6-methyl-2H-1,3-oxazin-4-one?
The canonical SMILES for 3-benzyl-2-(4-fluorophenyl)-6-methyl-2H-1,3-oxazin-4-one is CC1=CC(=O)N(Cc2ccccc2)C(c2ccc(F)cc2)O1.
What is the InChIKey of 3-benzyl-2-(4-fluorophenyl)-6-methyl-2H-1,3-oxazin-4-one?
The InChIKey is KHYMYCXYEIKQHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FNO2/c1-13-11-17(21)20(12-14-5-3-2-4-6-14)18(22-13)15-7-9-16(19)10-8-15/h2-11,18H,12H2,1H3.
What are the key properties of 3-benzyl-2-(4-fluorophenyl)-6-methyl-2H-1,3-oxazin-4-one?
3-benzyl-2-(4-fluorophenyl)-6-methyl-2H-1,3-oxazin-4-one has a molecular weight of 297.33 g/mol, XLogP of 3.79, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-2-(4-fluorophenyl)-6-methyl-2H-1,3-oxazin-4-one is sourced from PubChem (CID 132969069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).