(5S)-5-fluoro-6-(4-methoxyphenyl)-2-phenyl-5,6-dihydro-4H-1,3-oxazine

C₁₇H₁₆FNO₂ — CID 154714726

About (5S)-5-fluoro-6-(4-methoxyphenyl)-2-phenyl-5,6-dihydro-4H-1,3-oxazine

(5S)-5-fluoro-6-(4-methoxyphenyl)-2-phenyl-5,6-dihydro-4H-1,3-oxazine (PubChem CID 154714726) has the molecular formula C₁₇H₁₆FNO₂ and a molecular weight of 285.32 g/mol. Its IUPAC name is (5S)-5-fluoro-6-(4-methoxyphenyl)-2-phenyl-5,6-dihydro-4H-1,3-oxazine.

Molecular Properties

• Compound Name: (5S)-5-fluoro-6-(4-methoxyphenyl)-2-phenyl-5,6-dihydro-4H-1,3-oxazine
• PubChem CID: 154714726
• Molecular Formula: C₁₇H₁₆FNO₂
• Molecular Weight: 285.32 g/mol
• Exact Mass: 285.12
• IUPAC Name: (5S)-5-fluoro-6-(4-methoxyphenyl)-2-phenyl-5,6-dihydro-4H-1,3-oxazine
• SMILES: COc1ccc(C2OC(c3ccccc3)=NC[C@@H]2F)cc1
• InChI: InChI=1S/C17H16FNO2/c1-20-14-9-7-12(8-10-14)16-15(18)11-19-17(21-16)13-5-3-2-4-6-13/h2-10,15-16H,11H2,1H3/t15-,16?/m0/s1
• InChIKey: VAGXYAJYNYOKGM-VYRBHSGPSA-N
• XLogP: 3.55
• TPSA: 30.82 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	285.32
LogP ≤ 5	3.55
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of (5S)-5-fluoro-6-(4-methoxyphenyl)-2-phenyl-5,6-dihydro-4H-1,3-oxazine?

The IUPAC name of (5S)-5-fluoro-6-(4-methoxyphenyl)-2-phenyl-5,6-dihydro-4H-1,3-oxazine (CID 154714726) is (5S)-5-fluoro-6-(4-methoxyphenyl)-2-phenyl-5,6-dihydro-4H-1,3-oxazine.

What is the SMILES notation for (5S)-5-fluoro-6-(4-methoxyphenyl)-2-phenyl-5,6-dihydro-4H-1,3-oxazine?

The canonical SMILES for (5S)-5-fluoro-6-(4-methoxyphenyl)-2-phenyl-5,6-dihydro-4H-1,3-oxazine is COc1ccc(C2OC(c3ccccc3)=NC[C@@H]2F)cc1.

What is the InChIKey of (5S)-5-fluoro-6-(4-methoxyphenyl)-2-phenyl-5,6-dihydro-4H-1,3-oxazine?

The InChIKey is VAGXYAJYNYOKGM-VYRBHSGPSA-N. The full InChI is InChI=1S/C17H16FNO2/c1-20-14-9-7-12(8-10-14)16-15(18)11-19-17(21-16)13-5-3-2-4-6-13/h2-10,15-16H,11H2,1H3/t15-,16?/m0/s1.

What are the key properties of (5S)-5-fluoro-6-(4-methoxyphenyl)-2-phenyl-5,6-dihydro-4H-1,3-oxazine?

(5S)-5-fluoro-6-(4-methoxyphenyl)-2-phenyl-5,6-dihydro-4H-1,3-oxazine has a molecular weight of 285.32 g/mol, XLogP of 3.55, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (5S)-5-fluoro-6-(4-methoxyphenyl)-2-phenyl-5,6-dihydro-4H-1,3-oxazine is sourced from PubChem (CID 154714726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 154714726 — identifiers, structure, computed properties (public domain)

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