(5R)-5-(4-fluorophenyl)-2-phenyl-4,5-dihydro-1,3-oxazin-6-one

C₁₆H₁₂FNO₂ — CID 154714116

About (5R)-5-(4-fluorophenyl)-2-phenyl-4,5-dihydro-1,3-oxazin-6-one

(5R)-5-(4-fluorophenyl)-2-phenyl-4,5-dihydro-1,3-oxazin-6-one (PubChem CID 154714116) has the molecular formula C₁₆H₁₂FNO₂ and a molecular weight of 269.28 g/mol. Its IUPAC name is (5R)-5-(4-fluorophenyl)-2-phenyl-4,5-dihydro-1,3-oxazin-6-one.

Molecular Properties

• Compound Name: (5R)-5-(4-fluorophenyl)-2-phenyl-4,5-dihydro-1,3-oxazin-6-one
• PubChem CID: 154714116
• Molecular Formula: C₁₆H₁₂FNO₂
• Molecular Weight: 269.28 g/mol
• Exact Mass: 269.09
• IUPAC Name: (5R)-5-(4-fluorophenyl)-2-phenyl-4,5-dihydro-1,3-oxazin-6-one
• SMILES: O=C1OC(c2ccccc2)=NC[C@H]1c1ccc(F)cc1
• InChI: InChI=1S/C16H12FNO2/c17-13-8-6-11(7-9-13)14-10-18-15(20-16(14)19)12-4-2-1-3-5-12/h1-9,14H,10H2/t14-/m0/s1
• InChIKey: FSRJJMZVJQXQEH-AWEZNQCLSA-N
• XLogP: 2.91
• TPSA: 38.66 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	269.28
LogP ≤ 5	2.91
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of (5R)-5-(4-fluorophenyl)-2-phenyl-4,5-dihydro-1,3-oxazin-6-one?

The IUPAC name of (5R)-5-(4-fluorophenyl)-2-phenyl-4,5-dihydro-1,3-oxazin-6-one (CID 154714116) is (5R)-5-(4-fluorophenyl)-2-phenyl-4,5-dihydro-1,3-oxazin-6-one.

What is the SMILES notation for (5R)-5-(4-fluorophenyl)-2-phenyl-4,5-dihydro-1,3-oxazin-6-one?

The canonical SMILES for (5R)-5-(4-fluorophenyl)-2-phenyl-4,5-dihydro-1,3-oxazin-6-one is O=C1OC(c2ccccc2)=NC[C@H]1c1ccc(F)cc1.

What is the InChIKey of (5R)-5-(4-fluorophenyl)-2-phenyl-4,5-dihydro-1,3-oxazin-6-one?

The InChIKey is FSRJJMZVJQXQEH-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H12FNO2/c17-13-8-6-11(7-9-13)14-10-18-15(20-16(14)19)12-4-2-1-3-5-12/h1-9,14H,10H2/t14-/m0/s1.

What are the key properties of (5R)-5-(4-fluorophenyl)-2-phenyl-4,5-dihydro-1,3-oxazin-6-one?

(5R)-5-(4-fluorophenyl)-2-phenyl-4,5-dihydro-1,3-oxazin-6-one has a molecular weight of 269.28 g/mol, XLogP of 2.91, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-5-(4-fluorophenyl)-2-phenyl-4,5-dihydro-1,3-oxazin-6-one is sourced from PubChem (CID 154714116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 154714116 — identifiers, structure, computed properties (public domain)

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