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

C20H20N2O2 — CID 10914190

IUPAC(2R)-2-[(5S)-2-oxo-5-phenylmorpholin-4-yl]-4-phenylbutanenitrile
SMILESN#C[C@@H](CCc1ccccc1)N1CC(=O)OC[C@@H]1c1ccccc1
InChIInChI=1S/C20H20N2O2/c21-13-18(12-11-16-7-3-1-4-8-16)22-14-20(23)24-15-19(22)17-9-5-2-6-10-17/h1-10,18-19H,11-12,14-15H2/t18-,19-/m1/s1
InChIKeyONCQRKXQNXFYRN-RTBURBONSA-N
MW320.39 g/mol
LogP3.11
Rot. Bonds5

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

(2R)-2-[(5S)-2-oxo-5-phenylmorpholin-4-yl]-4-phenylbutanenitrile (PubChem CID 10914190) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is (2R)-2-[(5S)-2-oxo-5-phenylmorpholin-4-yl]-4-phenylbutanenitrile.

Molecular Properties

Compound Name(2R)-2-[(5S)-2-oxo-5-phenylmorpholin-4-yl]-4-phenylbutanenitrile
PubChem CID10914190
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC Name(2R)-2-[(5S)-2-oxo-5-phenylmorpholin-4-yl]-4-phenylbutanenitrile
SMILESN#C[C@@H](CCc1ccccc1)N1CC(=O)OC[C@@H]1c1ccccc1
InChIInChI=1S/C20H20N2O2/c21-13-18(12-11-16-7-3-1-4-8-16)22-14-20(23)24-15-19(22)17-9-5-2-6-10-17/h1-10,18-19H,11-12,14-15H2/t18-,19-/m1/s1
InChIKeyONCQRKXQNXFYRN-RTBURBONSA-N
XLogP3.11
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[(5S)-2-oxo-5-phenylmorpholin-4-yl]-2-phenylacetonitrile
CID 11833214
(5S)-4-[(1R)-1-(furan-2-yl)-2-phenylmethoxyethyl]-5-phenylmorpholin-2-one
CID 15453122
2-morpholin-4-yl-4-phenylbutanenitrile
CID 15907702
(4R)-4-phenyl-3-[(3S)-1-phenylhex-5-en-3-yl]-1,3-oxazolidin-2-one
CID 11809413
(4R)-3-[(2S,3R)-3-nitro-5-phenylpentan-2-yl]-4-phenyl-1,3-oxazolidin-2-one
CID 102304511
(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
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
(5R)-4-benzyl-5-phenyl-3-propylmorpholin-2-one
CID 102009380
3-[1-benzyl-2-[2-(furan-2-yl)ethyl]-4-oxoazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one
CID 14314974
2-amino-4-phenylbutanenitrile
CID 11159479
(4S)-4-phenyl-3-(3-pyridin-3-ylpropyl)-1,3-oxazolidin-2-one
CID 72911799

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(5S)-2-oxo-5-phenylmorpholin-4-yl]-4-phenylbutanenitrile?
The IUPAC name of (2R)-2-[(5S)-2-oxo-5-phenylmorpholin-4-yl]-4-phenylbutanenitrile (CID 10914190) is (2R)-2-[(5S)-2-oxo-5-phenylmorpholin-4-yl]-4-phenylbutanenitrile.
What is the SMILES notation for (2R)-2-[(5S)-2-oxo-5-phenylmorpholin-4-yl]-4-phenylbutanenitrile?
The canonical SMILES for (2R)-2-[(5S)-2-oxo-5-phenylmorpholin-4-yl]-4-phenylbutanenitrile is N#C[C@@H](CCc1ccccc1)N1CC(=O)OC[C@@H]1c1ccccc1.
What is the InChIKey of (2R)-2-[(5S)-2-oxo-5-phenylmorpholin-4-yl]-4-phenylbutanenitrile?
The InChIKey is ONCQRKXQNXFYRN-RTBURBONSA-N. The full InChI is InChI=1S/C20H20N2O2/c21-13-18(12-11-16-7-3-1-4-8-16)22-14-20(23)24-15-19(22)17-9-5-2-6-10-17/h1-10,18-19H,11-12,14-15H2/t18-,19-/m1/s1.
What are the key properties of (2R)-2-[(5S)-2-oxo-5-phenylmorpholin-4-yl]-4-phenylbutanenitrile?
(2R)-2-[(5S)-2-oxo-5-phenylmorpholin-4-yl]-4-phenylbutanenitrile has a molecular weight of 320.39 g/mol, XLogP of 3.11, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(5S)-2-oxo-5-phenylmorpholin-4-yl]-4-phenylbutanenitrile is sourced from PubChem (CID 10914190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).