3-benzyl-6-ethyl-2-phenyl-2H-1,3-oxazin-4-one

C19H19NO2 — CID 132969082

IUPAC3-benzyl-6-ethyl-2-phenyl-2H-1,3-oxazin-4-one
SMILESCCC1=CC(=O)N(Cc2ccccc2)C(c2ccccc2)O1
InChIInChI=1S/C19H19NO2/c1-2-17-13-18(21)20(14-15-9-5-3-6-10-15)19(22-17)16-11-7-4-8-12-16/h3-13,19H,2,14H2,1H3
InChIKeyMWXJDTXVHJJFRR-UHFFFAOYSA-N
MW293.37 g/mol
LogP4.04
Rot. Bonds4

About 3-benzyl-6-ethyl-2-phenyl-2H-1,3-oxazin-4-one

3-benzyl-6-ethyl-2-phenyl-2H-1,3-oxazin-4-one (PubChem CID 132969082) has the molecular formula C19H19NO2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 3-benzyl-6-ethyl-2-phenyl-2H-1,3-oxazin-4-one.

Molecular Properties

Compound Name3-benzyl-6-ethyl-2-phenyl-2H-1,3-oxazin-4-one
PubChem CID132969082
Molecular FormulaC19H19NO2
Molecular Weight293.37 g/mol
Exact Mass293.14
IUPAC Name3-benzyl-6-ethyl-2-phenyl-2H-1,3-oxazin-4-one
SMILESCCC1=CC(=O)N(Cc2ccccc2)C(c2ccccc2)O1
InChIInChI=1S/C19H19NO2/c1-2-17-13-18(21)20(14-15-9-5-3-6-10-15)19(22-17)16-11-7-4-8-12-16/h3-13,19H,2,14H2,1H3
InChIKeyMWXJDTXVHJJFRR-UHFFFAOYSA-N
XLogP4.04
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 54.04
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
COX inhibitor, 5a
CID 12444099
1-benzyl-3-(benzyloxy)-2-methyl-4(1H)-pyridinone
CID 660782
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
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-6-ethyl-2-phenyl-2H-1,3-oxazin-4-one?
The IUPAC name of 3-benzyl-6-ethyl-2-phenyl-2H-1,3-oxazin-4-one (CID 132969082) is 3-benzyl-6-ethyl-2-phenyl-2H-1,3-oxazin-4-one.
What is the SMILES notation for 3-benzyl-6-ethyl-2-phenyl-2H-1,3-oxazin-4-one?
The canonical SMILES for 3-benzyl-6-ethyl-2-phenyl-2H-1,3-oxazin-4-one is CCC1=CC(=O)N(Cc2ccccc2)C(c2ccccc2)O1.
What is the InChIKey of 3-benzyl-6-ethyl-2-phenyl-2H-1,3-oxazin-4-one?
The InChIKey is MWXJDTXVHJJFRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO2/c1-2-17-13-18(21)20(14-15-9-5-3-6-10-15)19(22-17)16-11-7-4-8-12-16/h3-13,19H,2,14H2,1H3.
What are the key properties of 3-benzyl-6-ethyl-2-phenyl-2H-1,3-oxazin-4-one?
3-benzyl-6-ethyl-2-phenyl-2H-1,3-oxazin-4-one has a molecular weight of 293.37 g/mol, XLogP of 4.04, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-6-ethyl-2-phenyl-2H-1,3-oxazin-4-one is sourced from PubChem (CID 132969082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).