(4S)-4-benzyl-3-[(2R,3S)-2-benzyl-3-hydroxy-3-phenylpropanoyl]-1,3-oxazolidin-2-one

C26H25NO4 — CID 11750365

IUPAC(4S)-4-benzyl-3-[(2R,3S)-2-benzyl-3-hydroxy-3-phenylpropanoyl]-1,3-oxazolidin-2-one
SMILESO=C1OC[C@H](Cc2ccccc2)N1C(=O)[C@H](Cc1ccccc1)[C@H](O)c1ccccc1
InChIInChI=1S/C26H25NO4/c28-24(21-14-8-3-9-15-21)23(17-20-12-6-2-7-13-20)25(29)27-22(18-31-26(27)30)16-19-10-4-1-5-11-19/h1-15,22-24,28H,16-18H2/t22-,23+,24+/m0/s1
InChIKeyLWVNPKFTPIWNMZ-RBZQAINGSA-N
MW415.49 g/mol
LogP4.17
Rot. Bonds7

About (4S)-4-benzyl-3-[(2R,3S)-2-benzyl-3-hydroxy-3-phenylpropanoyl]-1,3-oxazolidin-2-one

(4S)-4-benzyl-3-[(2R,3S)-2-benzyl-3-hydroxy-3-phenylpropanoyl]-1,3-oxazolidin-2-one (PubChem CID 11750365) has the molecular formula C26H25NO4 and a molecular weight of 415.49 g/mol. Its IUPAC name is (4S)-4-benzyl-3-[(2R,3S)-2-benzyl-3-hydroxy-3-phenylpropanoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-benzyl-3-[(2R,3S)-2-benzyl-3-hydroxy-3-phenylpropanoyl]-1,3-oxazolidin-2-one
PubChem CID11750365
Molecular FormulaC26H25NO4
Molecular Weight415.49 g/mol
Exact Mass415.18
IUPAC Name(4S)-4-benzyl-3-[(2R,3S)-2-benzyl-3-hydroxy-3-phenylpropanoyl]-1,3-oxazolidin-2-one
SMILESO=C1OC[C@H](Cc2ccccc2)N1C(=O)[C@H](Cc1ccccc1)[C@H](O)c1ccccc1
InChIInChI=1S/C26H25NO4/c28-24(21-14-8-3-9-15-21)23(17-20-12-6-2-7-13-20)25(29)27-22(18-31-26(27)30)16-19-10-4-1-5-11-19/h1-15,22-24,28H,16-18H2/t22-,23+,24+/m0/s1
InChIKeyLWVNPKFTPIWNMZ-RBZQAINGSA-N
XLogP4.17
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4R,5R)-5-((S)-Biphenyl-3-yl-hydroxy-methyl)-1-methyl-4-phenyl-pyrrolidin-2-one
CID 44397951
3-[6-[4-(Hydroxymethyl)phenyl]hexanoyl]-1,3-oxazolidin-2-one
CID 145974648
(4S)-3-[(2S,3S)-4-benzyl-3-hydroxy-2-methylpent-4-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 49846980
(4S)-3-[(5S)-5-(4-Fluorophenyl)-5-hydroxypentanoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 10269700
3-Hydroxy-1-(morpholin-4-yl)-2,3-diphenylpropan-1-one
CID 236250
N-[(2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-3-phenylpropanamide
CID 24761779
(4R,5R)-5-((S)-Hydroxy-phenyl-methyl)-1-methyl-4-phenyl-pyrrolidin-2-one
CID 13825991
(4R,5R)-5-((S)-Biphenyl-4-yl-hydroxy-methyl)-1-methyl-4-phenyl-pyrrolidin-2-one
CID 44397797
(4S)-4-benzyl-3-[(2S)-2-[(1R)-1-hydroxy-3-phenylmethoxypropyl]decanoyl]-1,3-oxazolidin-2-one
CID 46229557
(4S)-4-benzyl-3-[(2S,3S)-3-hydroxy-2-methyl-4-methylidenenonanoyl]-1,3-oxazolidin-2-one
CID 49846983
(4S)-4-benzyl-3-[(2R,3S)-3-hydroxy-2-methyl-4-methylidenenonanoyl]-1,3-oxazolidin-2-one
CID 49847056
(2S,4S)-4-(benzyloxy)-1-(2,2-diphenylacetyl)pyrrolidine-2-carboxylic acid
CID 89677468

Frequently Asked Questions

What is the IUPAC name of (4S)-4-benzyl-3-[(2R,3S)-2-benzyl-3-hydroxy-3-phenylpropanoyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-benzyl-3-[(2R,3S)-2-benzyl-3-hydroxy-3-phenylpropanoyl]-1,3-oxazolidin-2-one (CID 11750365) is (4S)-4-benzyl-3-[(2R,3S)-2-benzyl-3-hydroxy-3-phenylpropanoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-benzyl-3-[(2R,3S)-2-benzyl-3-hydroxy-3-phenylpropanoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-benzyl-3-[(2R,3S)-2-benzyl-3-hydroxy-3-phenylpropanoyl]-1,3-oxazolidin-2-one is O=C1OC[C@H](Cc2ccccc2)N1C(=O)[C@H](Cc1ccccc1)[C@H](O)c1ccccc1.
What is the InChIKey of (4S)-4-benzyl-3-[(2R,3S)-2-benzyl-3-hydroxy-3-phenylpropanoyl]-1,3-oxazolidin-2-one?
The InChIKey is LWVNPKFTPIWNMZ-RBZQAINGSA-N. The full InChI is InChI=1S/C26H25NO4/c28-24(21-14-8-3-9-15-21)23(17-20-12-6-2-7-13-20)25(29)27-22(18-31-26(27)30)16-19-10-4-1-5-11-19/h1-15,22-24,28H,16-18H2/t22-,23+,24+/m0/s1.
What are the key properties of (4S)-4-benzyl-3-[(2R,3S)-2-benzyl-3-hydroxy-3-phenylpropanoyl]-1,3-oxazolidin-2-one?
(4S)-4-benzyl-3-[(2R,3S)-2-benzyl-3-hydroxy-3-phenylpropanoyl]-1,3-oxazolidin-2-one has a molecular weight of 415.49 g/mol, XLogP of 4.17, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-benzyl-3-[(2R,3S)-2-benzyl-3-hydroxy-3-phenylpropanoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 11750365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).