3-benzyl-2,6-dimethyl-2-phenyl-1,3-oxazin-4-one

C19H19NO2 — CID 132969071

IUPAC3-benzyl-2,6-dimethyl-2-phenyl-1,3-oxazin-4-one
SMILESCC1=CC(=O)N(Cc2ccccc2)C(C)(c2ccccc2)O1
InChIInChI=1S/C19H19NO2/c1-15-13-18(21)20(14-16-9-5-3-6-10-16)19(2,22-15)17-11-7-4-8-12-17/h3-13H,14H2,1-2H3
InChIKeyUKYROLAFUUNPFT-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.82
Rot. Bonds3

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

3-benzyl-2,6-dimethyl-2-phenyl-1,3-oxazin-4-one (PubChem CID 132969071) has the molecular formula C19H19NO2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 3-benzyl-2,6-dimethyl-2-phenyl-1,3-oxazin-4-one.

Molecular Properties

Compound Name3-benzyl-2,6-dimethyl-2-phenyl-1,3-oxazin-4-one
PubChem CID132969071
Molecular FormulaC19H19NO2
Molecular Weight293.37 g/mol
Exact Mass293.14
IUPAC Name3-benzyl-2,6-dimethyl-2-phenyl-1,3-oxazin-4-one
SMILESCC1=CC(=O)N(Cc2ccccc2)C(C)(c2ccccc2)O1
InChIInChI=1S/C19H19NO2/c1-15-13-18(21)20(14-16-9-5-3-6-10-16)19(2,22-15)17-11-7-4-8-12-17/h3-13H,14H2,1-2H3
InChIKeyUKYROLAFUUNPFT-UHFFFAOYSA-N
XLogP3.82
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 10126288
1-benzyl-3-(benzyloxy)-2-methyl-4(1H)-pyridinone
CID 660782
1-benzyl-4-(benzyloxy)-3-chloropyridin-2(1H)-one
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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
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-benzyl-2,6-dimethyl-2-phenyl-1,3-oxazin-4-one?
The IUPAC name of 3-benzyl-2,6-dimethyl-2-phenyl-1,3-oxazin-4-one (CID 132969071) is 3-benzyl-2,6-dimethyl-2-phenyl-1,3-oxazin-4-one.
What is the SMILES notation for 3-benzyl-2,6-dimethyl-2-phenyl-1,3-oxazin-4-one?
The canonical SMILES for 3-benzyl-2,6-dimethyl-2-phenyl-1,3-oxazin-4-one is CC1=CC(=O)N(Cc2ccccc2)C(C)(c2ccccc2)O1.
What is the InChIKey of 3-benzyl-2,6-dimethyl-2-phenyl-1,3-oxazin-4-one?
The InChIKey is UKYROLAFUUNPFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO2/c1-15-13-18(21)20(14-16-9-5-3-6-10-16)19(2,22-15)17-11-7-4-8-12-17/h3-13H,14H2,1-2H3.
What are the key properties of 3-benzyl-2,6-dimethyl-2-phenyl-1,3-oxazin-4-one?
3-benzyl-2,6-dimethyl-2-phenyl-1,3-oxazin-4-one has a molecular weight of 293.37 g/mol, XLogP of 3.82, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-2,6-dimethyl-2-phenyl-1,3-oxazin-4-one is sourced from PubChem (CID 132969071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).