2-[3-[(3R,6S)-5-amino-3-methyl-6-phenyl-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]-1-(5-chloro-2-pyridinyl)ethanone;2-[3-[(3R,6R)-5-amino-3-methyl-6-phenyl-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]-1-(5-chloro-2-pyridinyl)ethanone

C48H42Cl2F2N6O4 — CID 162112914

About 2-[3-[(3R,6S)-5-amino-3-methyl-6-phenyl-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]-1-(5-chloro-2-pyridinyl)ethanone;2-[3-[(3R,6R)-5-amino-3-methyl-6-phenyl-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]-1-(5-chloro-2-pyridinyl)ethanone

2-[3-[(3R,6S)-5-amino-3-methyl-6-phenyl-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]-1-(5-chloro-2-pyridinyl)ethanone;2-[3-[(3R,6R)-5-amino-3-methyl-6-phenyl-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]-1-(5-chloro-2-pyridinyl)ethanone (PubChem CID 162112914) has the molecular formula C48H42Cl2F2N6O4 and a molecular weight of 875.80 g/mol. Its IUPAC name is 2-[3-[(3R,6S)-5-amino-3-methyl-6-phenyl-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]-1-(5-chloro-2-pyridinyl)ethanone;2-[3-[(3R,6R)-5-amino-3-methyl-6-phenyl-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]-1-(5-chloro-2-pyridinyl)ethanone.

Molecular Properties

• Compound Name: 2-[3-[(3R,6S)-5-amino-3-methyl-6-phenyl-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]-1-(5-chloro-2-pyridinyl)ethanone;2-[3-[(3R,6R)-5-amino-3-methyl-6-phenyl-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]-1-(5-chloro-2-pyridinyl)ethanone
• PubChem CID: 162112914
• Molecular Formula: C48H42Cl2F2N6O4
• Molecular Weight: 875.80 g/mol
• Exact Mass: 874.26
• IUPAC Name: 2-[3-[(3R,6S)-5-amino-3-methyl-6-phenyl-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]-1-(5-chloro-2-pyridinyl)ethanone;2-[3-[(3R,6R)-5-amino-3-methyl-6-phenyl-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]-1-(5-chloro-2-pyridinyl)ethanone
• SMILES: C[C@@]1(c2cc(CC(=O)c3ccc(Cl)cn3)ccc2F)CO[C@@H](c2ccccc2)C(N)=N1.C[C@@]1(c2cc(CC(=O)c3ccc(Cl)cn3)ccc2F)CO[C@H](c2ccccc2)C(N)=N1
• InChI: InChI=1S/2C24H21ClFN3O2/c2*1-24(14-31-22(23(27)29-24)16-5-3-2-4-6-16)18-11-15(7-9-19(18)26)12-21(30)20-10-8-17(25)13-28-20/h2*2-11,13,22H,12,14H2,1H3,(H2,27,29)/t22-,24+;22-,24-/m10/s1
• InChIKey: ZGJSRNGQUYQOMD-MLQXZBPGSA-N
• XLogP: 9.29
• TPSA: 155.14 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	875.80
LogP ≤ 5	9.29
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(3R,6S)-5-amino-3-methyl-6-phenyl-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]-1-(5-chloro-2-pyridinyl)ethanone;2-[3-[(3R,6R)-5-amino-3-methyl-6-phenyl-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]-1-(5-chloro-2-pyridinyl)ethanone?

The IUPAC name of 2-[3-[(3R,6S)-5-amino-3-methyl-6-phenyl-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]-1-(5-chloro-2-pyridinyl)ethanone;2-[3-[(3R,6R)-5-amino-3-methyl-6-phenyl-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]-1-(5-chloro-2-pyridinyl)ethanone (CID 162112914) is 2-[3-[(3R,6S)-5-amino-3-methyl-6-phenyl-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]-1-(5-chloro-2-pyridinyl)ethanone;2-[3-[(3R,6R)-5-amino-3-methyl-6-phenyl-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]-1-(5-chloro-2-pyridinyl)ethanone.

What is the SMILES notation for 2-[3-[(3R,6S)-5-amino-3-methyl-6-phenyl-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]-1-(5-chloro-2-pyridinyl)ethanone;2-[3-[(3R,6R)-5-amino-3-methyl-6-phenyl-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]-1-(5-chloro-2-pyridinyl)ethanone?

The canonical SMILES for 2-[3-[(3R,6S)-5-amino-3-methyl-6-phenyl-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]-1-(5-chloro-2-pyridinyl)ethanone;2-[3-[(3R,6R)-5-amino-3-methyl-6-phenyl-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]-1-(5-chloro-2-pyridinyl)ethanone is C[C@@]1(c2cc(CC(=O)c3ccc(Cl)cn3)ccc2F)CO[C@@H](c2ccccc2)C(N)=N1.C[C@@]1(c2cc(CC(=O)c3ccc(Cl)cn3)ccc2F)CO[C@H](c2ccccc2)C(N)=N1.

What is the InChIKey of 2-[3-[(3R,6S)-5-amino-3-methyl-6-phenyl-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]-1-(5-chloro-2-pyridinyl)ethanone;2-[3-[(3R,6R)-5-amino-3-methyl-6-phenyl-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]-1-(5-chloro-2-pyridinyl)ethanone?

The InChIKey is ZGJSRNGQUYQOMD-MLQXZBPGSA-N. The full InChI is InChI=1S/2C24H21ClFN3O2/c2*1-24(14-31-22(23(27)29-24)16-5-3-2-4-6-16)18-11-15(7-9-19(18)26)12-21(30)20-10-8-17(25)13-28-20/h2*2-11,13,22H,12,14H2,1H3,(H2,27,29)/t22-,24+;22-,24-/m10/s1.

What are the key properties of 2-[3-[(3R,6S)-5-amino-3-methyl-6-phenyl-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]-1-(5-chloro-2-pyridinyl)ethanone;2-[3-[(3R,6R)-5-amino-3-methyl-6-phenyl-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]-1-(5-chloro-2-pyridinyl)ethanone?

2-[3-[(3R,6S)-5-amino-3-methyl-6-phenyl-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]-1-(5-chloro-2-pyridinyl)ethanone;2-[3-[(3R,6R)-5-amino-3-methyl-6-phenyl-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]-1-(5-chloro-2-pyridinyl)ethanone has a molecular weight of 875.80 g/mol, XLogP of 9.29, 10 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[(3R,6S)-5-amino-3-methyl-6-phenyl-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]-1-(5-chloro-2-pyridinyl)ethanone;2-[3-[(3R,6R)-5-amino-3-methyl-6-phenyl-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]-1-(5-chloro-2-pyridinyl)ethanone is sourced from PubChem (CID 162112914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).