5-(2-fluorophenyl)-6-methyl-3-(2-methyl-3-oxopentan-2-yl)-2H-1,3-oxazin-4-one

C17H20FNO3 — CID 146725334

IUPAC5-(2-fluorophenyl)-6-methyl-3-(2-methyl-3-oxopentan-2-yl)-2H-1,3-oxazin-4-one
SMILESCCC(=O)C(C)(C)N1COC(C)=C(c2ccccc2F)C1=O
InChIInChI=1S/C17H20FNO3/c1-5-14(20)17(3,4)19-10-22-11(2)15(16(19)21)12-8-6-7-9-13(12)18/h6-9H,5,10H2,1-4H3
InChIKeyRGGIMHPFWQZPQM-UHFFFAOYSA-N
MW305.35 g/mol
LogP3.13
Rot. Bonds4

About 5-(2-fluorophenyl)-6-methyl-3-(2-methyl-3-oxopentan-2-yl)-2H-1,3-oxazin-4-one

5-(2-fluorophenyl)-6-methyl-3-(2-methyl-3-oxopentan-2-yl)-2H-1,3-oxazin-4-one (PubChem CID 146725334) has the molecular formula C17H20FNO3 and a molecular weight of 305.35 g/mol. Its IUPAC name is 5-(2-fluorophenyl)-6-methyl-3-(2-methyl-3-oxopentan-2-yl)-2H-1,3-oxazin-4-one.

Molecular Properties

Compound Name5-(2-fluorophenyl)-6-methyl-3-(2-methyl-3-oxopentan-2-yl)-2H-1,3-oxazin-4-one
PubChem CID146725334
Molecular FormulaC17H20FNO3
Molecular Weight305.35 g/mol
Exact Mass305.14
IUPAC Name5-(2-fluorophenyl)-6-methyl-3-(2-methyl-3-oxopentan-2-yl)-2H-1,3-oxazin-4-one
SMILESCCC(=O)C(C)(C)N1COC(C)=C(c2ccccc2F)C1=O
InChIInChI=1S/C17H20FNO3/c1-5-14(20)17(3,4)19-10-22-11(2)15(16(19)21)12-8-6-7-9-13(12)18/h6-9H,5,10H2,1-4H3
InChIKeyRGGIMHPFWQZPQM-UHFFFAOYSA-N
XLogP3.13
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.35
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-(2-fluorophenyl)-6-methyl-3-(2-methyl-3-oxopentan-2-yl)-2H-1,3-oxazin-4-one with MolForge

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Related Compounds

1-Methyl-3,4-diphenyl-1-azaspiro[4.5]deca-3,6,9-triene-2,8-dione
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2-[5-(2-fluorophenyl)-6-methyl-4-oxo-2H-1,3-oxazin-3(4H)-yl]-2-methylpropanoic acid
CID 36995404
1-benzyl-4-(4-fluorophenyl)-3-methoxy-2H-pyrrol-5-one
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3-Iodo-1-methyl-4-phenyl-1-azaspiro[4.5]deca-3,7,9-triene-2,6-dione
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tert-butyl (2S)-2-benzyl-3-oxo-4,5-dipropyl-2,6-dihydropyridine-1-carboxylate
CID 71277256
N-acetylfluoromethcathinone
CID 91693875
N-Acetyl-3-fluoroisomethcathinone
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N-[1-(2-Fluorophenyl)-1-oxopropan-2-yl]-N-methylacetamide
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2-(N-Isopropyl-N-carbomethoxyamino)-4-methyl-4'-fluoro-2,5-dihydrobenzophenone
CID 13205870
6-methyl-5-phenyl-3-(7,7,7-trifluoro-2-methyl-3-oxoheptan-2-yl)-2H-1,3-oxazin-4-one
CID 18795453
6-methyl-3-[2-methyl-3-oxo-4-[3-(trifluoromethyl)phenyl]butan-2-yl]-5-phenyl-2H-1,3-oxazin-4-one
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Frequently Asked Questions

What is the IUPAC name of 5-(2-fluorophenyl)-6-methyl-3-(2-methyl-3-oxopentan-2-yl)-2H-1,3-oxazin-4-one?
The IUPAC name of 5-(2-fluorophenyl)-6-methyl-3-(2-methyl-3-oxopentan-2-yl)-2H-1,3-oxazin-4-one (CID 146725334) is 5-(2-fluorophenyl)-6-methyl-3-(2-methyl-3-oxopentan-2-yl)-2H-1,3-oxazin-4-one.
What is the SMILES notation for 5-(2-fluorophenyl)-6-methyl-3-(2-methyl-3-oxopentan-2-yl)-2H-1,3-oxazin-4-one?
The canonical SMILES for 5-(2-fluorophenyl)-6-methyl-3-(2-methyl-3-oxopentan-2-yl)-2H-1,3-oxazin-4-one is CCC(=O)C(C)(C)N1COC(C)=C(c2ccccc2F)C1=O.
What is the InChIKey of 5-(2-fluorophenyl)-6-methyl-3-(2-methyl-3-oxopentan-2-yl)-2H-1,3-oxazin-4-one?
The InChIKey is RGGIMHPFWQZPQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO3/c1-5-14(20)17(3,4)19-10-22-11(2)15(16(19)21)12-8-6-7-9-13(12)18/h6-9H,5,10H2,1-4H3.
What are the key properties of 5-(2-fluorophenyl)-6-methyl-3-(2-methyl-3-oxopentan-2-yl)-2H-1,3-oxazin-4-one?
5-(2-fluorophenyl)-6-methyl-3-(2-methyl-3-oxopentan-2-yl)-2H-1,3-oxazin-4-one has a molecular weight of 305.35 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluorophenyl)-6-methyl-3-(2-methyl-3-oxopentan-2-yl)-2H-1,3-oxazin-4-one is sourced from PubChem (CID 146725334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).