(4R)-4-benzyl-3-[3-(4-phenylmethoxyphenyl)propanoyl]-1,3-oxazolidin-2-one

C26H25NO4 — CID 134830569

IUPAC(4R)-4-benzyl-3-[3-(4-phenylmethoxyphenyl)propanoyl]-1,3-oxazolidin-2-one
SMILESO=C(CCc1ccc(OCc2ccccc2)cc1)N1C(=O)OC[C@H]1Cc1ccccc1
InChIInChI=1S/C26H25NO4/c28-25(27-23(19-31-26(27)29)17-21-7-3-1-4-8-21)16-13-20-11-14-24(15-12-20)30-18-22-9-5-2-6-10-22/h1-12,14-15,23H,13,16-19H2/t23-/m1/s1
InChIKeyABKKGYBGPZDODV-HSZRJFAPSA-N
MW415.49 g/mol
LogP4.79
Rot. Bonds8

About (4R)-4-benzyl-3-[3-(4-phenylmethoxyphenyl)propanoyl]-1,3-oxazolidin-2-one

(4R)-4-benzyl-3-[3-(4-phenylmethoxyphenyl)propanoyl]-1,3-oxazolidin-2-one (PubChem CID 134830569) has the molecular formula C26H25NO4 and a molecular weight of 415.49 g/mol. Its IUPAC name is (4R)-4-benzyl-3-[3-(4-phenylmethoxyphenyl)propanoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-4-benzyl-3-[3-(4-phenylmethoxyphenyl)propanoyl]-1,3-oxazolidin-2-one
PubChem CID134830569
Molecular FormulaC26H25NO4
Molecular Weight415.49 g/mol
Exact Mass415.18
IUPAC Name(4R)-4-benzyl-3-[3-(4-phenylmethoxyphenyl)propanoyl]-1,3-oxazolidin-2-one
SMILESO=C(CCc1ccc(OCc2ccccc2)cc1)N1C(=O)OC[C@H]1Cc1ccccc1
InChIInChI=1S/C26H25NO4/c28-25(27-23(19-31-26(27)29)17-21-7-3-1-4-8-21)16-13-20-11-14-24(15-12-20)30-18-22-9-5-2-6-10-22/h1-12,14-15,23H,13,16-19H2/t23-/m1/s1
InChIKeyABKKGYBGPZDODV-HSZRJFAPSA-N
XLogP4.79
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 ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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(S)-1-[2-(4-Benzyl-phenoxy)-ethyl]-pyrrolidine-2-carboxylic acid methyl ester
CID 44342007
(2S)-2-acetamido-3-[4-(2-phenylethoxy)phenyl]propanoic acid
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3-(4-Phenoxybenzoyl)-1,3-oxazolidin-2-one
CID 132141213
2-(4-Benzyloxy-phenyl)-N-methyl-N-phenethyl-acetamide
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CID 17752426

Frequently Asked Questions

What is the IUPAC name of (4R)-4-benzyl-3-[3-(4-phenylmethoxyphenyl)propanoyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-4-benzyl-3-[3-(4-phenylmethoxyphenyl)propanoyl]-1,3-oxazolidin-2-one (CID 134830569) is (4R)-4-benzyl-3-[3-(4-phenylmethoxyphenyl)propanoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-4-benzyl-3-[3-(4-phenylmethoxyphenyl)propanoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-4-benzyl-3-[3-(4-phenylmethoxyphenyl)propanoyl]-1,3-oxazolidin-2-one is O=C(CCc1ccc(OCc2ccccc2)cc1)N1C(=O)OC[C@H]1Cc1ccccc1.
What is the InChIKey of (4R)-4-benzyl-3-[3-(4-phenylmethoxyphenyl)propanoyl]-1,3-oxazolidin-2-one?
The InChIKey is ABKKGYBGPZDODV-HSZRJFAPSA-N. The full InChI is InChI=1S/C26H25NO4/c28-25(27-23(19-31-26(27)29)17-21-7-3-1-4-8-21)16-13-20-11-14-24(15-12-20)30-18-22-9-5-2-6-10-22/h1-12,14-15,23H,13,16-19H2/t23-/m1/s1.
What are the key properties of (4R)-4-benzyl-3-[3-(4-phenylmethoxyphenyl)propanoyl]-1,3-oxazolidin-2-one?
(4R)-4-benzyl-3-[3-(4-phenylmethoxyphenyl)propanoyl]-1,3-oxazolidin-2-one has a molecular weight of 415.49 g/mol, XLogP of 4.79, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-benzyl-3-[3-(4-phenylmethoxyphenyl)propanoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 134830569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).