6-methyl-2-phenyl-3-propyl-2H-1,3-oxazin-4-one

C14H17NO2 — CID 12913829

IUPAC6-methyl-2-phenyl-3-propyl-2H-1,3-oxazin-4-one
SMILESCCCN1C(=O)C=C(C)OC1c1ccccc1
InChIInChI=1S/C14H17NO2/c1-3-9-15-13(16)10-11(2)17-14(15)12-7-5-4-6-8-12/h4-8,10,14H,3,9H2,1-2H3
InChIKeyRXYIATPHUGIAHG-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.86
Rot. Bonds3

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

6-methyl-2-phenyl-3-propyl-2H-1,3-oxazin-4-one (PubChem CID 12913829) has the molecular formula C14H17NO2 and a molecular weight of 231.30 g/mol. Its IUPAC name is 6-methyl-2-phenyl-3-propyl-2H-1,3-oxazin-4-one.

Molecular Properties

Compound Name6-methyl-2-phenyl-3-propyl-2H-1,3-oxazin-4-one
PubChem CID12913829
Molecular FormulaC14H17NO2
Molecular Weight231.30 g/mol
Exact Mass231.13
IUPAC Name6-methyl-2-phenyl-3-propyl-2H-1,3-oxazin-4-one
SMILESCCCN1C(=O)C=C(C)OC1c1ccccc1
InChIInChI=1S/C14H17NO2/c1-3-9-15-13(16)10-11(2)17-14(15)12-7-5-4-6-8-12/h4-8,10,14H,3,9H2,1-2H3
InChIKeyRXYIATPHUGIAHG-UHFFFAOYSA-N
XLogP2.86
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.86
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
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-fluoroethyl)(propyl)amino)methyl)phenethyl)pyridin-2(1H)-one
CID 45487356
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-((isobutyl(propyl)amino)methyl)phenethyl)pyridin-2(1H)-one
CID 45487391
1-[2-[4-[(Dimethylamino)methyl]phenyl]ethyl]-4-phenylmethoxypyridin-2-one
CID 122184832
1-benzyl-4-(benzyloxy)pyridin-2(1H)-one
CID 10193032
1-benzyl-4-(benzyloxy)-3-methylpyridin-2(1H)-one
CID 10193155
1-benzyl-4-(benzyloxy)-3-ethylpyridin-2(1H)-one
CID 22050258

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-phenyl-3-propyl-2H-1,3-oxazin-4-one?
The IUPAC name of 6-methyl-2-phenyl-3-propyl-2H-1,3-oxazin-4-one (CID 12913829) is 6-methyl-2-phenyl-3-propyl-2H-1,3-oxazin-4-one.
What is the SMILES notation for 6-methyl-2-phenyl-3-propyl-2H-1,3-oxazin-4-one?
The canonical SMILES for 6-methyl-2-phenyl-3-propyl-2H-1,3-oxazin-4-one is CCCN1C(=O)C=C(C)OC1c1ccccc1.
What is the InChIKey of 6-methyl-2-phenyl-3-propyl-2H-1,3-oxazin-4-one?
The InChIKey is RXYIATPHUGIAHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-3-9-15-13(16)10-11(2)17-14(15)12-7-5-4-6-8-12/h4-8,10,14H,3,9H2,1-2H3.
What are the key properties of 6-methyl-2-phenyl-3-propyl-2H-1,3-oxazin-4-one?
6-methyl-2-phenyl-3-propyl-2H-1,3-oxazin-4-one has a molecular weight of 231.30 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-phenyl-3-propyl-2H-1,3-oxazin-4-one is sourced from PubChem (CID 12913829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).