(2S,6S)-2-(4-nitrophenyl)-6-phenyl-1,3-oxazinan-4-one

C16H14N2O4 — CID 102323795

IUPAC(2S,6S)-2-(4-nitrophenyl)-6-phenyl-1,3-oxazinan-4-one
SMILESO=C1C[C@@H](c2ccccc2)O[C@@H](c2ccc([N+](=O)[O-])cc2)N1
InChIInChI=1S/C16H14N2O4/c19-15-10-14(11-4-2-1-3-5-11)22-16(17-15)12-6-8-13(9-7-12)18(20)21/h1-9,14,16H,10H2,(H,17,19)/t14-,16-/m0/s1
InChIKeyNSYYGIYGZGNOAT-HOCLYGCPSA-N
MW298.30 g/mol
LogP2.87
Rot. Bonds3

About (2S,6S)-2-(4-nitrophenyl)-6-phenyl-1,3-oxazinan-4-one

(2S,6S)-2-(4-nitrophenyl)-6-phenyl-1,3-oxazinan-4-one (PubChem CID 102323795) has the molecular formula C16H14N2O4 and a molecular weight of 298.30 g/mol. Its IUPAC name is (2S,6S)-2-(4-nitrophenyl)-6-phenyl-1,3-oxazinan-4-one.

Molecular Properties

Compound Name(2S,6S)-2-(4-nitrophenyl)-6-phenyl-1,3-oxazinan-4-one
PubChem CID102323795
Molecular FormulaC16H14N2O4
Molecular Weight298.30 g/mol
Exact Mass298.10
IUPAC Name(2S,6S)-2-(4-nitrophenyl)-6-phenyl-1,3-oxazinan-4-one
SMILESO=C1C[C@@H](c2ccccc2)O[C@@H](c2ccc([N+](=O)[O-])cc2)N1
InChIInChI=1S/C16H14N2O4/c19-15-10-14(11-4-2-1-3-5-11)22-16(17-15)12-6-8-13(9-7-12)18(20)21/h1-9,14,16H,10H2,(H,17,19)/t14-,16-/m0/s1
InChIKeyNSYYGIYGZGNOAT-HOCLYGCPSA-N
XLogP2.87
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2S,6S)-2,6-diphenyl-1,3-oxazinan-4-one
CID 16750773
(2R,4S,6S)-2,4-bis(4-nitrophenyl)-6-phenyl-1,3-dioxane
CID 100817075
4-(4-nitrophenyl)azetidin-2-one
CID 55255418
(2R,5R)-2,5-bis(4-nitrophenyl)oxolane
CID 14770197
2-[6-(4-nitrophenyl)-4-oxo-2-phenyl-1,3-oxazinan-5-yl]isoindole-1,3-dione
CID 102122615
(2R,5R)-2-(3-nitrophenyl)-5-(4-nitrophenyl)-1,3-oxazolidine
CID 6999249
(1S,3R)-1-methyl-3-(4-nitrophenyl)-3,4-dihydro-1H-isochromene
CID 15425708
(2R,5S)-2-(2-methoxyphenyl)-5-(4-nitrophenyl)-1,3-oxazolidine
CID 765982
1-nitro-4-[(1R,2R)-2-phenylcyclopropyl]benzene
CID 15891688
(2R,5S)-2-(2-chlorophenyl)-5-(4-nitrophenyl)-1,3-oxazolidine
CID 726620
1-[(2R,3S,5S)-2-(4-nitrophenyl)-5-phenyloxolan-3-yl]ethanone
CID 24987776
N,N-dimethyl-4-[(2R,5R)-5-(4-nitrophenyl)-1,3-oxazolidin-2-yl]aniline
CID 794908

Frequently Asked Questions

What is the IUPAC name of (2S,6S)-2-(4-nitrophenyl)-6-phenyl-1,3-oxazinan-4-one?
The IUPAC name of (2S,6S)-2-(4-nitrophenyl)-6-phenyl-1,3-oxazinan-4-one (CID 102323795) is (2S,6S)-2-(4-nitrophenyl)-6-phenyl-1,3-oxazinan-4-one.
What is the SMILES notation for (2S,6S)-2-(4-nitrophenyl)-6-phenyl-1,3-oxazinan-4-one?
The canonical SMILES for (2S,6S)-2-(4-nitrophenyl)-6-phenyl-1,3-oxazinan-4-one is O=C1C[C@@H](c2ccccc2)O[C@@H](c2ccc([N+](=O)[O-])cc2)N1.
What is the InChIKey of (2S,6S)-2-(4-nitrophenyl)-6-phenyl-1,3-oxazinan-4-one?
The InChIKey is NSYYGIYGZGNOAT-HOCLYGCPSA-N. The full InChI is InChI=1S/C16H14N2O4/c19-15-10-14(11-4-2-1-3-5-11)22-16(17-15)12-6-8-13(9-7-12)18(20)21/h1-9,14,16H,10H2,(H,17,19)/t14-,16-/m0/s1.
What are the key properties of (2S,6S)-2-(4-nitrophenyl)-6-phenyl-1,3-oxazinan-4-one?
(2S,6S)-2-(4-nitrophenyl)-6-phenyl-1,3-oxazinan-4-one has a molecular weight of 298.30 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6S)-2-(4-nitrophenyl)-6-phenyl-1,3-oxazinan-4-one is sourced from PubChem (CID 102323795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).