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

C15H16FNO4 — CID 36995404

IUPAC2-[5-(2-fluorophenyl)-6-methyl-4-oxo-2H-1,3-oxazin-3-yl]-2-methylpropanoic acid
SMILESCC1=C(c2ccccc2F)C(=O)N(C(C)(C)C(=O)O)CO1
InChIInChI=1S/C15H16FNO4/c1-9-12(10-6-4-5-7-11(10)16)13(18)17(8-21-9)15(2,3)14(19)20/h4-7H,8H2,1-3H3,(H,19,20)
InChIKeyVCYDHNHROVDGFN-UHFFFAOYSA-N
MW293.29 g/mol
LogP2.24
Rot. Bonds3

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

2-[5-(2-fluorophenyl)-6-methyl-4-oxo-2H-1,3-oxazin-3-yl]-2-methylpropanoic acid (PubChem CID 36995404) has the molecular formula C15H16FNO4 and a molecular weight of 293.29 g/mol. Its IUPAC name is 2-[5-(2-fluorophenyl)-6-methyl-4-oxo-2H-1,3-oxazin-3-yl]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[5-(2-fluorophenyl)-6-methyl-4-oxo-2H-1,3-oxazin-3-yl]-2-methylpropanoic acid
PubChem CID36995404
Molecular FormulaC15H16FNO4
Molecular Weight293.29 g/mol
Exact Mass293.11
IUPAC Name2-[5-(2-fluorophenyl)-6-methyl-4-oxo-2H-1,3-oxazin-3-yl]-2-methylpropanoic acid
SMILESCC1=C(c2ccccc2F)C(=O)N(C(C)(C)C(=O)O)CO1
InChIInChI=1S/C15H16FNO4/c1-9-12(10-6-4-5-7-11(10)16)13(18)17(8-21-9)15(2,3)14(19)20/h4-7H,8H2,1-3H3,(H,19,20)
InChIKeyVCYDHNHROVDGFN-UHFFFAOYSA-N
XLogP2.24
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.29
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-fluorophenyl)-6-methyl-4-oxo-2H-1,3-oxazin-3-yl]-2-methylpropanoic acid?
The IUPAC name of 2-[5-(2-fluorophenyl)-6-methyl-4-oxo-2H-1,3-oxazin-3-yl]-2-methylpropanoic acid (CID 36995404) is 2-[5-(2-fluorophenyl)-6-methyl-4-oxo-2H-1,3-oxazin-3-yl]-2-methylpropanoic acid.
What is the SMILES notation for 2-[5-(2-fluorophenyl)-6-methyl-4-oxo-2H-1,3-oxazin-3-yl]-2-methylpropanoic acid?
The canonical SMILES for 2-[5-(2-fluorophenyl)-6-methyl-4-oxo-2H-1,3-oxazin-3-yl]-2-methylpropanoic acid is CC1=C(c2ccccc2F)C(=O)N(C(C)(C)C(=O)O)CO1.
What is the InChIKey of 2-[5-(2-fluorophenyl)-6-methyl-4-oxo-2H-1,3-oxazin-3-yl]-2-methylpropanoic acid?
The InChIKey is VCYDHNHROVDGFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO4/c1-9-12(10-6-4-5-7-11(10)16)13(18)17(8-21-9)15(2,3)14(19)20/h4-7H,8H2,1-3H3,(H,19,20).
What are the key properties of 2-[5-(2-fluorophenyl)-6-methyl-4-oxo-2H-1,3-oxazin-3-yl]-2-methylpropanoic acid?
2-[5-(2-fluorophenyl)-6-methyl-4-oxo-2H-1,3-oxazin-3-yl]-2-methylpropanoic acid has a molecular weight of 293.29 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-fluorophenyl)-6-methyl-4-oxo-2H-1,3-oxazin-3-yl]-2-methylpropanoic acid is sourced from PubChem (CID 36995404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).