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

C20H21NO4 — CID 54268323

IUPAC(4S)-4-benzyl-3-[(2R)-2-benzyl-3-hydroxypropanoyl]-1,3-oxazolidin-2-one
SMILESO=C1OC[C@H](Cc2ccccc2)N1C(=O)[C@@H](CO)Cc1ccccc1
InChIInChI=1S/C20H21NO4/c22-13-17(11-15-7-3-1-4-8-15)19(23)21-18(14-25-20(21)24)12-16-9-5-2-6-10-16/h1-10,17-18,22H,11-14H2/t17-,18+/m1/s1
InChIKeyRIIQQKANBTZNRM-MSOLQXFVSA-N
MW339.39 g/mol
LogP2.43
Rot. Bonds6

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

(4S)-4-benzyl-3-[(2R)-2-benzyl-3-hydroxypropanoyl]-1,3-oxazolidin-2-one (PubChem CID 54268323) has the molecular formula C20H21NO4 and a molecular weight of 339.39 g/mol. Its IUPAC name is (4S)-4-benzyl-3-[(2R)-2-benzyl-3-hydroxypropanoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-benzyl-3-[(2R)-2-benzyl-3-hydroxypropanoyl]-1,3-oxazolidin-2-one
PubChem CID54268323
Molecular FormulaC20H21NO4
Molecular Weight339.39 g/mol
Exact Mass339.15
IUPAC Name(4S)-4-benzyl-3-[(2R)-2-benzyl-3-hydroxypropanoyl]-1,3-oxazolidin-2-one
SMILESO=C1OC[C@H](Cc2ccccc2)N1C(=O)[C@@H](CO)Cc1ccccc1
InChIInChI=1S/C20H21NO4/c22-13-17(11-15-7-3-1-4-8-15)19(23)21-18(14-25-20(21)24)12-16-9-5-2-6-10-16/h1-10,17-18,22H,11-14H2/t17-,18+/m1/s1
InChIKeyRIIQQKANBTZNRM-MSOLQXFVSA-N
XLogP2.43
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-benzyl-3-[(2R)-2-benzyl-3-hydroxypropanoyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-benzyl-3-[(2R)-2-benzyl-3-hydroxypropanoyl]-1,3-oxazolidin-2-one (CID 54268323) is (4S)-4-benzyl-3-[(2R)-2-benzyl-3-hydroxypropanoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-benzyl-3-[(2R)-2-benzyl-3-hydroxypropanoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-benzyl-3-[(2R)-2-benzyl-3-hydroxypropanoyl]-1,3-oxazolidin-2-one is O=C1OC[C@H](Cc2ccccc2)N1C(=O)[C@@H](CO)Cc1ccccc1.
What is the InChIKey of (4S)-4-benzyl-3-[(2R)-2-benzyl-3-hydroxypropanoyl]-1,3-oxazolidin-2-one?
The InChIKey is RIIQQKANBTZNRM-MSOLQXFVSA-N. The full InChI is InChI=1S/C20H21NO4/c22-13-17(11-15-7-3-1-4-8-15)19(23)21-18(14-25-20(21)24)12-16-9-5-2-6-10-16/h1-10,17-18,22H,11-14H2/t17-,18+/m1/s1.
What are the key properties of (4S)-4-benzyl-3-[(2R)-2-benzyl-3-hydroxypropanoyl]-1,3-oxazolidin-2-one?
(4S)-4-benzyl-3-[(2R)-2-benzyl-3-hydroxypropanoyl]-1,3-oxazolidin-2-one has a molecular weight of 339.39 g/mol, XLogP of 2.43, 6 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)-2-benzyl-3-hydroxypropanoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 54268323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).