3,6-dibenzyl-2-phenyl-2H-1,3-oxazin-4-one

C24H21NO2 — CID 134843558

IUPAC3,6-dibenzyl-2-phenyl-2H-1,3-oxazin-4-one
SMILESO=C1C=C(Cc2ccccc2)OC(c2ccccc2)N1Cc1ccccc1
InChIInChI=1S/C24H21NO2/c26-23-17-22(16-19-10-4-1-5-11-19)27-24(21-14-8-3-9-15-21)25(23)18-20-12-6-2-7-13-20/h1-15,17,24H,16,18H2
InChIKeyQATAKCUOWSPBFJ-UHFFFAOYSA-N
MW355.44 g/mol
LogP4.87
Rot. Bonds5

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

3,6-dibenzyl-2-phenyl-2H-1,3-oxazin-4-one (PubChem CID 134843558) has the molecular formula C24H21NO2 and a molecular weight of 355.44 g/mol. Its IUPAC name is 3,6-dibenzyl-2-phenyl-2H-1,3-oxazin-4-one.

Molecular Properties

Compound Name3,6-dibenzyl-2-phenyl-2H-1,3-oxazin-4-one
PubChem CID134843558
Molecular FormulaC24H21NO2
Molecular Weight355.44 g/mol
Exact Mass355.16
IUPAC Name3,6-dibenzyl-2-phenyl-2H-1,3-oxazin-4-one
SMILESO=C1C=C(Cc2ccccc2)OC(c2ccccc2)N1Cc1ccccc1
InChIInChI=1S/C24H21NO2/c26-23-17-22(16-19-10-4-1-5-11-19)27-24(21-14-8-3-9-15-21)25(23)18-20-12-6-2-7-13-20/h1-15,17,24H,16,18H2
InChIKeyQATAKCUOWSPBFJ-UHFFFAOYSA-N
XLogP4.87
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 54.87
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-(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
4-(4-fluorobenzyloxy)-1-(4-(((2-methoxyethyl)(propyl)amino)methyl)phenethyl)pyridin-2(1H)-one
CID 45487331
4-(4-fluorobenzyloxy)-1-(4-(((2-fluoroethyl)(propyl)amino)methyl)phenethyl)pyridin-2(1H)-one
CID 45487356
4-(4-fluorobenzyloxy)-1-(4-(pyrrolidin-1-ylmethyl)phenethyl)pyridin-2(1H)-one
CID 45487372
1-(4-((diethylamino)methyl)phenethyl)-4-(4-fluorobenzyloxy)pyridin-2(1H)-one
CID 45487382
1-(4-((dipropylamino)methyl)phenethyl)-4-(4-fluorobenzyloxy)pyridin-2(1H)-one
CID 45487383
4-(4-fluorobenzyloxy)-1-(4-((isopropyl(propyl)amino)methyl)phenethyl)pyridin-2(1H)-one
CID 45487390

Frequently Asked Questions

What is the IUPAC name of 3,6-dibenzyl-2-phenyl-2H-1,3-oxazin-4-one?
The IUPAC name of 3,6-dibenzyl-2-phenyl-2H-1,3-oxazin-4-one (CID 134843558) is 3,6-dibenzyl-2-phenyl-2H-1,3-oxazin-4-one.
What is the SMILES notation for 3,6-dibenzyl-2-phenyl-2H-1,3-oxazin-4-one?
The canonical SMILES for 3,6-dibenzyl-2-phenyl-2H-1,3-oxazin-4-one is O=C1C=C(Cc2ccccc2)OC(c2ccccc2)N1Cc1ccccc1.
What is the InChIKey of 3,6-dibenzyl-2-phenyl-2H-1,3-oxazin-4-one?
The InChIKey is QATAKCUOWSPBFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NO2/c26-23-17-22(16-19-10-4-1-5-11-19)27-24(21-14-8-3-9-15-21)25(23)18-20-12-6-2-7-13-20/h1-15,17,24H,16,18H2.
What are the key properties of 3,6-dibenzyl-2-phenyl-2H-1,3-oxazin-4-one?
3,6-dibenzyl-2-phenyl-2H-1,3-oxazin-4-one has a molecular weight of 355.44 g/mol, XLogP of 4.87, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dibenzyl-2-phenyl-2H-1,3-oxazin-4-one is sourced from PubChem (CID 134843558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).