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

C26H25NO4 — CID 86714918

IUPAC(4S)-4-benzyl-3-[(2R)-2-phenyl-3-phenylmethoxypropanoyl]-1,3-oxazolidin-2-one
SMILESO=C1OC[C@H](Cc2ccccc2)N1C(=O)[C@@H](COCc1ccccc1)c1ccccc1
InChIInChI=1S/C26H25NO4/c28-25(27-23(18-31-26(27)29)16-20-10-4-1-5-11-20)24(22-14-8-3-9-15-22)19-30-17-21-12-6-2-7-13-21/h1-15,23-24H,16-19H2/t23-,24-/m0/s1
InChIKeyVSJNLXWPFJCEHD-ZEQRLZLVSA-N
MW415.49 g/mol
LogP4.58
Rot. Bonds8

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

(4S)-4-benzyl-3-[(2R)-2-phenyl-3-phenylmethoxypropanoyl]-1,3-oxazolidin-2-one (PubChem CID 86714918) has the molecular formula C26H25NO4 and a molecular weight of 415.49 g/mol. Its IUPAC name is (4S)-4-benzyl-3-[(2R)-2-phenyl-3-phenylmethoxypropanoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-benzyl-3-[(2R)-2-phenyl-3-phenylmethoxypropanoyl]-1,3-oxazolidin-2-one
PubChem CID86714918
Molecular FormulaC26H25NO4
Molecular Weight415.49 g/mol
Exact Mass415.18
IUPAC Name(4S)-4-benzyl-3-[(2R)-2-phenyl-3-phenylmethoxypropanoyl]-1,3-oxazolidin-2-one
SMILESO=C1OC[C@H](Cc2ccccc2)N1C(=O)[C@@H](COCc1ccccc1)c1ccccc1
InChIInChI=1S/C26H25NO4/c28-25(27-23(18-31-26(27)29)16-20-10-4-1-5-11-20)24(22-14-8-3-9-15-22)19-30-17-21-12-6-2-7-13-21/h1-15,23-24H,16-19H2/t23-,24-/m0/s1
InChIKeyVSJNLXWPFJCEHD-ZEQRLZLVSA-N
XLogP4.58
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-benzyl-3-[(2R)-2-phenyl-3-phenylmethoxypropanoyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-benzyl-3-[(2R)-2-phenyl-3-phenylmethoxypropanoyl]-1,3-oxazolidin-2-one (CID 86714918) is (4S)-4-benzyl-3-[(2R)-2-phenyl-3-phenylmethoxypropanoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-benzyl-3-[(2R)-2-phenyl-3-phenylmethoxypropanoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-benzyl-3-[(2R)-2-phenyl-3-phenylmethoxypropanoyl]-1,3-oxazolidin-2-one is O=C1OC[C@H](Cc2ccccc2)N1C(=O)[C@@H](COCc1ccccc1)c1ccccc1.
What is the InChIKey of (4S)-4-benzyl-3-[(2R)-2-phenyl-3-phenylmethoxypropanoyl]-1,3-oxazolidin-2-one?
The InChIKey is VSJNLXWPFJCEHD-ZEQRLZLVSA-N. The full InChI is InChI=1S/C26H25NO4/c28-25(27-23(18-31-26(27)29)16-20-10-4-1-5-11-20)24(22-14-8-3-9-15-22)19-30-17-21-12-6-2-7-13-21/h1-15,23-24H,16-19H2/t23-,24-/m0/s1.
What are the key properties of (4S)-4-benzyl-3-[(2R)-2-phenyl-3-phenylmethoxypropanoyl]-1,3-oxazolidin-2-one?
(4S)-4-benzyl-3-[(2R)-2-phenyl-3-phenylmethoxypropanoyl]-1,3-oxazolidin-2-one has a molecular weight of 415.49 g/mol, XLogP of 4.58, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-benzyl-3-[(2R)-2-phenyl-3-phenylmethoxypropanoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 86714918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).