(2S)-2-[(5S)-2-oxo-5-phenylmorpholin-4-yl]-2-phenylacetonitrile

C18H16N2O2 — CID 11833214

IUPAC(2S)-2-[(5S)-2-oxo-5-phenylmorpholin-4-yl]-2-phenylacetonitrile
SMILESN#C[C@H](c1ccccc1)N1CC(=O)OC[C@@H]1c1ccccc1
InChIInChI=1S/C18H16N2O2/c19-11-16(14-7-3-1-4-8-14)20-12-18(21)22-13-17(20)15-9-5-2-6-10-15/h1-10,16-17H,12-13H2/t16-,17-/m1/s1
InChIKeyAJHQGLZFCDOXPZ-IAGOWNOFSA-N
MW292.34 g/mol
LogP2.85
Rot. Bonds3

About (2S)-2-[(5S)-2-oxo-5-phenylmorpholin-4-yl]-2-phenylacetonitrile

(2S)-2-[(5S)-2-oxo-5-phenylmorpholin-4-yl]-2-phenylacetonitrile (PubChem CID 11833214) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is (2S)-2-[(5S)-2-oxo-5-phenylmorpholin-4-yl]-2-phenylacetonitrile.

Molecular Properties

Compound Name(2S)-2-[(5S)-2-oxo-5-phenylmorpholin-4-yl]-2-phenylacetonitrile
PubChem CID11833214
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC Name(2S)-2-[(5S)-2-oxo-5-phenylmorpholin-4-yl]-2-phenylacetonitrile
SMILESN#C[C@H](c1ccccc1)N1CC(=O)OC[C@@H]1c1ccccc1
InChIInChI=1S/C18H16N2O2/c19-11-16(14-7-3-1-4-8-14)20-12-18(21)22-13-17(20)15-9-5-2-6-10-15/h1-10,16-17H,12-13H2/t16-,17-/m1/s1
InChIKeyAJHQGLZFCDOXPZ-IAGOWNOFSA-N
XLogP2.85
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[(5S)-2-oxo-5-phenylmorpholin-4-yl]-4-phenylbutanenitrile
CID 10914190
(5S)-4-[(1R)-1-(furan-2-yl)-2-phenylmethoxyethyl]-5-phenylmorpholin-2-one
CID 15453122
(3S)-4-oxo-4-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-3-phenylbutanenitrile
CID 170640420
(2R)-2-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-2-phenylacetic acid
CID 134870683
(2R,3R)-1,4-bis[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-2,3-diphenylbutane-1,4-dione
CID 10482928
4-phenyl-3-prop-2-ynyl-1,3-oxazolidin-2-one
CID 73115367
(2R)-2-[(5S)-2-hydroxy-5-phenylmorpholin-4-yl]-3-methylbutanenitrile
CID 11780247
4-phenyl-3-(2-phenylpropanoyl)-1,3-oxazolidin-2-one
CID 59942448
2-(6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-2-phenylacetonitrile
CID 64835341
(4R)-3-[[2-[[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]methyl]phenyl]methyl]-4-phenyl-1,3-oxazolidin-2-one
CID 138601240
(2S)-2-[(2S)-2-[hydroxy(diphenyl)methyl]pyrrolidin-1-yl]-2-phenylacetonitrile
CID 71613979
methyl (2S,4S)-1-[(S)-cyano(phenyl)methyl]-4-iodopyrrolidine-2-carboxylate
CID 71614174

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(5S)-2-oxo-5-phenylmorpholin-4-yl]-2-phenylacetonitrile?
The IUPAC name of (2S)-2-[(5S)-2-oxo-5-phenylmorpholin-4-yl]-2-phenylacetonitrile (CID 11833214) is (2S)-2-[(5S)-2-oxo-5-phenylmorpholin-4-yl]-2-phenylacetonitrile.
What is the SMILES notation for (2S)-2-[(5S)-2-oxo-5-phenylmorpholin-4-yl]-2-phenylacetonitrile?
The canonical SMILES for (2S)-2-[(5S)-2-oxo-5-phenylmorpholin-4-yl]-2-phenylacetonitrile is N#C[C@H](c1ccccc1)N1CC(=O)OC[C@@H]1c1ccccc1.
What is the InChIKey of (2S)-2-[(5S)-2-oxo-5-phenylmorpholin-4-yl]-2-phenylacetonitrile?
The InChIKey is AJHQGLZFCDOXPZ-IAGOWNOFSA-N. The full InChI is InChI=1S/C18H16N2O2/c19-11-16(14-7-3-1-4-8-14)20-12-18(21)22-13-17(20)15-9-5-2-6-10-15/h1-10,16-17H,12-13H2/t16-,17-/m1/s1.
What are the key properties of (2S)-2-[(5S)-2-oxo-5-phenylmorpholin-4-yl]-2-phenylacetonitrile?
(2S)-2-[(5S)-2-oxo-5-phenylmorpholin-4-yl]-2-phenylacetonitrile has a molecular weight of 292.34 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(5S)-2-oxo-5-phenylmorpholin-4-yl]-2-phenylacetonitrile is sourced from PubChem (CID 11833214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).