(5S)-4-[(1R)-1-(furan-2-yl)-2-phenylmethoxyethyl]-5-phenylmorpholin-2-one

C23H23NO4 — CID 15453122

IUPAC(5S)-4-[(1R)-1-(furan-2-yl)-2-phenylmethoxyethyl]-5-phenylmorpholin-2-one
SMILESO=C1CN([C@H](COCc2ccccc2)c2ccco2)[C@@H](c2ccccc2)CO1
InChIInChI=1S/C23H23NO4/c25-23-14-24(20(17-28-23)19-10-5-2-6-11-19)21(22-12-7-13-27-22)16-26-15-18-8-3-1-4-9-18/h1-13,20-21H,14-17H2/t20-,21-/m1/s1
InChIKeyZWBLWHCEFVJOCC-NHCUHLMSSA-N
MW377.44 g/mol
LogP4.14
Rot. Bonds7

About (5S)-4-[(1R)-1-(furan-2-yl)-2-phenylmethoxyethyl]-5-phenylmorpholin-2-one

(5S)-4-[(1R)-1-(furan-2-yl)-2-phenylmethoxyethyl]-5-phenylmorpholin-2-one (PubChem CID 15453122) has the molecular formula C23H23NO4 and a molecular weight of 377.44 g/mol. Its IUPAC name is (5S)-4-[(1R)-1-(furan-2-yl)-2-phenylmethoxyethyl]-5-phenylmorpholin-2-one.

Molecular Properties

Compound Name(5S)-4-[(1R)-1-(furan-2-yl)-2-phenylmethoxyethyl]-5-phenylmorpholin-2-one
PubChem CID15453122
Molecular FormulaC23H23NO4
Molecular Weight377.44 g/mol
Exact Mass377.16
IUPAC Name(5S)-4-[(1R)-1-(furan-2-yl)-2-phenylmethoxyethyl]-5-phenylmorpholin-2-one
SMILESO=C1CN([C@H](COCc2ccccc2)c2ccco2)[C@@H](c2ccccc2)CO1
InChIInChI=1S/C23H23NO4/c25-23-14-24(20(17-28-23)19-10-5-2-6-11-19)21(22-12-7-13-27-22)16-26-15-18-8-3-1-4-9-18/h1-13,20-21H,14-17H2/t20-,21-/m1/s1
InChIKeyZWBLWHCEFVJOCC-NHCUHLMSSA-N
XLogP4.14
TPSA51.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-[(5S)-2-oxo-5-phenylmorpholin-4-yl]-4-phenylbutanenitrile
CID 10914190
1-(furan-2-yl)-2-phenylmethoxyethanamine
CID 16788903
(2S)-2-[(5S)-2-oxo-5-phenylmorpholin-4-yl]-2-phenylacetonitrile
CID 11833214
(4S)-3-[(2S,3R)-3-hydroxy-2-methyl-6-phenylmethoxyhexanoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 102386100
(3R,7R,8aR)-3-phenyl-7-[(2R)-1-phenylmethoxypropan-2-yl]-3,7,8,8a-tetrahydro-2H-[1,3]oxazolo[3,2-c][1,3]oxazin-5-one
CID 100968491
(4S)-4-phenyl-3-[(2R,3S,5S)-2,3,5-trimethyl-7-phenylmethoxyheptanoyl]-1,3-oxazolidin-2-one
CID 11384699
(4S)-3-[(E)-2-methyl-4-phenylmethoxybut-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 25231256
[(1S,2R,3R)-1-[(1S)-1,2-bis(phenylmethoxy)ethyl]-2,3,4-tris(phenylmethoxy)butoxy]methylbenzene
CID 99647470
(4S,5R)-1-[(2R,3R)-2-(dibenzylamino)-3-(furan-2-yl)-3-hydroxypropanoyl]-3,4-dimethyl-5-phenylimidazolidin-2-one
CID 101112776
1-(furan-2-yl)-N-phenylmethoxymethanamine
CID 82709159
[2-oxo-2-[(3R)-3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethyl] furan-2-carboxylate
CID 40734673
ethane;4-phenylmethoxyoxolan-2-one
CID 143867154

Frequently Asked Questions

What is the IUPAC name of (5S)-4-[(1R)-1-(furan-2-yl)-2-phenylmethoxyethyl]-5-phenylmorpholin-2-one?
The IUPAC name of (5S)-4-[(1R)-1-(furan-2-yl)-2-phenylmethoxyethyl]-5-phenylmorpholin-2-one (CID 15453122) is (5S)-4-[(1R)-1-(furan-2-yl)-2-phenylmethoxyethyl]-5-phenylmorpholin-2-one.
What is the SMILES notation for (5S)-4-[(1R)-1-(furan-2-yl)-2-phenylmethoxyethyl]-5-phenylmorpholin-2-one?
The canonical SMILES for (5S)-4-[(1R)-1-(furan-2-yl)-2-phenylmethoxyethyl]-5-phenylmorpholin-2-one is O=C1CN([C@H](COCc2ccccc2)c2ccco2)[C@@H](c2ccccc2)CO1.
What is the InChIKey of (5S)-4-[(1R)-1-(furan-2-yl)-2-phenylmethoxyethyl]-5-phenylmorpholin-2-one?
The InChIKey is ZWBLWHCEFVJOCC-NHCUHLMSSA-N. The full InChI is InChI=1S/C23H23NO4/c25-23-14-24(20(17-28-23)19-10-5-2-6-11-19)21(22-12-7-13-27-22)16-26-15-18-8-3-1-4-9-18/h1-13,20-21H,14-17H2/t20-,21-/m1/s1.
What are the key properties of (5S)-4-[(1R)-1-(furan-2-yl)-2-phenylmethoxyethyl]-5-phenylmorpholin-2-one?
(5S)-4-[(1R)-1-(furan-2-yl)-2-phenylmethoxyethyl]-5-phenylmorpholin-2-one has a molecular weight of 377.44 g/mol, XLogP of 4.14, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-4-[(1R)-1-(furan-2-yl)-2-phenylmethoxyethyl]-5-phenylmorpholin-2-one is sourced from PubChem (CID 15453122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).