2-[6-(fluoromethyl)-4-oxo-5-phenyl-2H-1,3-oxazin-3-yl]-2-methylpropanoic acid

C15H16FNO4 — CID 19354574

IUPAC2-[6-(fluoromethyl)-4-oxo-5-phenyl-2H-1,3-oxazin-3-yl]-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)N1COC(CF)=C(c2ccccc2)C1=O
InChIInChI=1S/C15H16FNO4/c1-15(2,14(19)20)17-9-21-11(8-16)12(13(17)18)10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3,(H,19,20)
InChIKeyNVKHJUUPCAKFTF-UHFFFAOYSA-N
MW293.29 g/mol
LogP2.05
Rot. Bonds4

About 2-[6-(fluoromethyl)-4-oxo-5-phenyl-2H-1,3-oxazin-3-yl]-2-methylpropanoic acid

2-[6-(fluoromethyl)-4-oxo-5-phenyl-2H-1,3-oxazin-3-yl]-2-methylpropanoic acid (PubChem CID 19354574) has the molecular formula C15H16FNO4 and a molecular weight of 293.29 g/mol. Its IUPAC name is 2-[6-(fluoromethyl)-4-oxo-5-phenyl-2H-1,3-oxazin-3-yl]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[6-(fluoromethyl)-4-oxo-5-phenyl-2H-1,3-oxazin-3-yl]-2-methylpropanoic acid
PubChem CID19354574
Molecular FormulaC15H16FNO4
Molecular Weight293.29 g/mol
Exact Mass293.11
IUPAC Name2-[6-(fluoromethyl)-4-oxo-5-phenyl-2H-1,3-oxazin-3-yl]-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)N1COC(CF)=C(c2ccccc2)C1=O
InChIInChI=1S/C15H16FNO4/c1-15(2,14(19)20)17-9-21-11(8-16)12(13(17)18)10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3,(H,19,20)
InChIKeyNVKHJUUPCAKFTF-UHFFFAOYSA-N
XLogP2.05
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.29
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-(2-fluorophenyl)-6-methyl-4-oxo-2H-1,3-oxazin-3(4H)-yl]-2-methylpropanoic acid
CID 36995404
6-methyl-5-phenyl-3-(7,7,7-trifluoro-2-methyl-3-oxoheptan-2-yl)-2H-1,3-oxazin-4-one
CID 18795453
3-[4-(3,5-difluorophenyl)-2-methyl-3-oxobutan-2-yl]-6-methyl-5-phenyl-2H-1,3-oxazin-4-one
CID 18795471
2-[5-(2-fluorophenyl)-6-methyl-4-oxo-2H-1,3-oxazin-3-yl]-2-methylpropanal
CID 18795479
5-(2-fluorophenyl)-6-methyl-3-(2-methyl-3-oxohexan-2-yl)-2H-1,3-oxazin-4-one
CID 18795480
3-[4-(2,5-difluorophenyl)-2-methyl-3-oxobutan-2-yl]-6-methyl-5-phenyl-2H-1,3-oxazin-4-one
CID 18795501
3-[4-(2,4-difluorophenyl)-2-methyl-3-oxobutan-2-yl]-6-methyl-5-phenyl-2H-1,3-oxazin-4-one
CID 18795502
5-(2-fluorophenyl)-6-methyl-3-(2-methyl-3-oxoheptan-2-yl)-2H-1,3-oxazin-4-one
CID 18795536
3-[4-(4-fluorophenyl)-2-methyl-3-oxobutan-2-yl]-6-methyl-5-phenyl-2H-1,3-oxazin-4-one
CID 18795545
butyl 2-[6-(fluoromethyl)-4-oxo-5-phenyl-2H-1,3-oxazin-3-yl]-2-methylpropanoate
CID 19354573
2-(6-difluoromethyl-2,3-dihydro-4-oxo-5-phenyl-4H-1,3-oxazin-3-yl)-2-methylpropanoic acid
CID 19354606
1-(3,5-difluorophenyl)-2-(6-carboxymethyl-2,3-dihydro-4-oxo-5-phenyl-4H-1,3-oxazin-3-yl)-2-methylpropan-1-one
CID 22118316

Frequently Asked Questions

What is the IUPAC name of 2-[6-(fluoromethyl)-4-oxo-5-phenyl-2H-1,3-oxazin-3-yl]-2-methylpropanoic acid?
The IUPAC name of 2-[6-(fluoromethyl)-4-oxo-5-phenyl-2H-1,3-oxazin-3-yl]-2-methylpropanoic acid (CID 19354574) is 2-[6-(fluoromethyl)-4-oxo-5-phenyl-2H-1,3-oxazin-3-yl]-2-methylpropanoic acid.
What is the SMILES notation for 2-[6-(fluoromethyl)-4-oxo-5-phenyl-2H-1,3-oxazin-3-yl]-2-methylpropanoic acid?
The canonical SMILES for 2-[6-(fluoromethyl)-4-oxo-5-phenyl-2H-1,3-oxazin-3-yl]-2-methylpropanoic acid is CC(C)(C(=O)O)N1COC(CF)=C(c2ccccc2)C1=O.
What is the InChIKey of 2-[6-(fluoromethyl)-4-oxo-5-phenyl-2H-1,3-oxazin-3-yl]-2-methylpropanoic acid?
The InChIKey is NVKHJUUPCAKFTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO4/c1-15(2,14(19)20)17-9-21-11(8-16)12(13(17)18)10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3,(H,19,20).
What are the key properties of 2-[6-(fluoromethyl)-4-oxo-5-phenyl-2H-1,3-oxazin-3-yl]-2-methylpropanoic acid?
2-[6-(fluoromethyl)-4-oxo-5-phenyl-2H-1,3-oxazin-3-yl]-2-methylpropanoic acid has a molecular weight of 293.29 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(fluoromethyl)-4-oxo-5-phenyl-2H-1,3-oxazin-3-yl]-2-methylpropanoic acid is sourced from PubChem (CID 19354574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).