4-benzyl-3-[(2S)-2-ethoxy-3-(2-fluoro-4-phenylmethoxyphenyl)-3-hydroxypropanoyl]-1,3-oxazolidin-2-one

C28H28FNO6 — CID 69282342

IUPAC4-benzyl-3-[(2S)-2-ethoxy-3-(2-fluoro-4-phenylmethoxyphenyl)-3-hydroxypropanoyl]-1,3-oxazolidin-2-one
SMILESCCO[C@H](C(=O)N1C(=O)OCC1Cc1ccccc1)C(O)c1ccc(OCc2ccccc2)cc1F
InChIInChI=1S/C28H28FNO6/c1-2-34-26(27(32)30-21(18-36-28(30)33)15-19-9-5-3-6-10-19)25(31)23-14-13-22(16-24(23)29)35-17-20-11-7-4-8-12-20/h3-14,16,21,25-26,31H,2,15,17-18H2,1H3/t21?,25?,26-/m0/s1
InChIKeyDQFWPOJZAJXBDY-FNEQHPHYSA-N
MW493.53 g/mol
LogP4.43
Rot. Bonds10

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

4-benzyl-3-[(2S)-2-ethoxy-3-(2-fluoro-4-phenylmethoxyphenyl)-3-hydroxypropanoyl]-1,3-oxazolidin-2-one (PubChem CID 69282342) has the molecular formula C28H28FNO6 and a molecular weight of 493.53 g/mol. Its IUPAC name is 4-benzyl-3-[(2S)-2-ethoxy-3-(2-fluoro-4-phenylmethoxyphenyl)-3-hydroxypropanoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-benzyl-3-[(2S)-2-ethoxy-3-(2-fluoro-4-phenylmethoxyphenyl)-3-hydroxypropanoyl]-1,3-oxazolidin-2-one
PubChem CID69282342
Molecular FormulaC28H28FNO6
Molecular Weight493.53 g/mol
Exact Mass493.19
IUPAC Name4-benzyl-3-[(2S)-2-ethoxy-3-(2-fluoro-4-phenylmethoxyphenyl)-3-hydroxypropanoyl]-1,3-oxazolidin-2-one
SMILESCCO[C@H](C(=O)N1C(=O)OCC1Cc1ccccc1)C(O)c1ccc(OCc2ccccc2)cc1F
InChIInChI=1S/C28H28FNO6/c1-2-34-26(27(32)30-21(18-36-28(30)33)15-19-9-5-3-6-10-19)25(31)23-14-13-22(16-24(23)29)35-17-20-11-7-4-8-12-20/h3-14,16,21,25-26,31H,2,15,17-18H2,1H3/t21?,25?,26-/m0/s1
InChIKeyDQFWPOJZAJXBDY-FNEQHPHYSA-N
XLogP4.43
TPSA85.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.53
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-3-[(2S)-2-ethoxy-3-(2-fluoro-4-phenylmethoxyphenyl)-3-hydroxypropanoyl]-1,3-oxazolidin-2-one?
The IUPAC name of 4-benzyl-3-[(2S)-2-ethoxy-3-(2-fluoro-4-phenylmethoxyphenyl)-3-hydroxypropanoyl]-1,3-oxazolidin-2-one (CID 69282342) is 4-benzyl-3-[(2S)-2-ethoxy-3-(2-fluoro-4-phenylmethoxyphenyl)-3-hydroxypropanoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-benzyl-3-[(2S)-2-ethoxy-3-(2-fluoro-4-phenylmethoxyphenyl)-3-hydroxypropanoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 4-benzyl-3-[(2S)-2-ethoxy-3-(2-fluoro-4-phenylmethoxyphenyl)-3-hydroxypropanoyl]-1,3-oxazolidin-2-one is CCO[C@H](C(=O)N1C(=O)OCC1Cc1ccccc1)C(O)c1ccc(OCc2ccccc2)cc1F.
What is the InChIKey of 4-benzyl-3-[(2S)-2-ethoxy-3-(2-fluoro-4-phenylmethoxyphenyl)-3-hydroxypropanoyl]-1,3-oxazolidin-2-one?
The InChIKey is DQFWPOJZAJXBDY-FNEQHPHYSA-N. The full InChI is InChI=1S/C28H28FNO6/c1-2-34-26(27(32)30-21(18-36-28(30)33)15-19-9-5-3-6-10-19)25(31)23-14-13-22(16-24(23)29)35-17-20-11-7-4-8-12-20/h3-14,16,21,25-26,31H,2,15,17-18H2,1H3/t21?,25?,26-/m0/s1.
What are the key properties of 4-benzyl-3-[(2S)-2-ethoxy-3-(2-fluoro-4-phenylmethoxyphenyl)-3-hydroxypropanoyl]-1,3-oxazolidin-2-one?
4-benzyl-3-[(2S)-2-ethoxy-3-(2-fluoro-4-phenylmethoxyphenyl)-3-hydroxypropanoyl]-1,3-oxazolidin-2-one has a molecular weight of 493.53 g/mol, XLogP of 4.43, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-3-[(2S)-2-ethoxy-3-(2-fluoro-4-phenylmethoxyphenyl)-3-hydroxypropanoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 69282342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).