(4S)-4-benzyl-3-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-1,3-oxazolidin-2-one

C19H21NO3 — CID 15349930

IUPAC(4S)-4-benzyl-3-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-1,3-oxazolidin-2-one
SMILESO=C1OC[C@H](Cc2ccccc2)N1[C@H](CO)Cc1ccccc1
InChIInChI=1S/C19H21NO3/c21-13-17(11-15-7-3-1-4-8-15)20-18(14-23-19(20)22)12-16-9-5-2-6-10-16/h1-10,17-18,21H,11-14H2/t17-,18-/m0/s1
InChIKeyPCZKNHFPUWPQTF-ROUUACIJSA-N
MW311.38 g/mol
LogP2.65
Rot. Bonds6

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

(4S)-4-benzyl-3-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-1,3-oxazolidin-2-one (PubChem CID 15349930) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is (4S)-4-benzyl-3-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-benzyl-3-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-1,3-oxazolidin-2-one
PubChem CID15349930
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Name(4S)-4-benzyl-3-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-1,3-oxazolidin-2-one
SMILESO=C1OC[C@H](Cc2ccccc2)N1[C@H](CO)Cc1ccccc1
InChIInChI=1S/C19H21NO3/c21-13-17(11-15-7-3-1-4-8-15)20-18(14-23-19(20)22)12-16-9-5-2-6-10-16/h1-10,17-18,21H,11-14H2/t17-,18-/m0/s1
InChIKeyPCZKNHFPUWPQTF-ROUUACIJSA-N
XLogP2.65
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-benzyl-3-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-benzyl-3-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-1,3-oxazolidin-2-one (CID 15349930) is (4S)-4-benzyl-3-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-benzyl-3-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-benzyl-3-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-1,3-oxazolidin-2-one is O=C1OC[C@H](Cc2ccccc2)N1[C@H](CO)Cc1ccccc1.
What is the InChIKey of (4S)-4-benzyl-3-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-1,3-oxazolidin-2-one?
The InChIKey is PCZKNHFPUWPQTF-ROUUACIJSA-N. The full InChI is InChI=1S/C19H21NO3/c21-13-17(11-15-7-3-1-4-8-15)20-18(14-23-19(20)22)12-16-9-5-2-6-10-16/h1-10,17-18,21H,11-14H2/t17-,18-/m0/s1.
What are the key properties of (4S)-4-benzyl-3-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-1,3-oxazolidin-2-one?
(4S)-4-benzyl-3-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-1,3-oxazolidin-2-one has a molecular weight of 311.38 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-benzyl-3-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 15349930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).