(4S)-3-[(5S)-5-(4-fluorophenyl)-5-phenylmethoxypentanoyl]-4-phenyl-1,3-oxazolidin-2-one

C27H26FNO4 — CID 58895863

IUPAC(4S)-3-[(5S)-5-(4-fluorophenyl)-5-phenylmethoxypentanoyl]-4-phenyl-1,3-oxazolidin-2-one
SMILESO=C(CCC[C@H](OCc1ccccc1)c1ccc(F)cc1)N1C(=O)OC[C@@H]1c1ccccc1
InChIInChI=1S/C27H26FNO4/c28-23-16-14-22(15-17-23)25(32-18-20-8-3-1-4-9-20)12-7-13-26(30)29-24(19-33-27(29)31)21-10-5-2-6-11-21/h1-6,8-11,14-17,24-25H,7,12-13,18-19H2/t24-,25+/m1/s1
InChIKeyWGGUTTPLVIUJIS-RPBOFIJWSA-N
MW447.51 g/mol
LogP5.97
Rot. Bonds9

About (4S)-3-[(5S)-5-(4-fluorophenyl)-5-phenylmethoxypentanoyl]-4-phenyl-1,3-oxazolidin-2-one

(4S)-3-[(5S)-5-(4-fluorophenyl)-5-phenylmethoxypentanoyl]-4-phenyl-1,3-oxazolidin-2-one (PubChem CID 58895863) has the molecular formula C27H26FNO4 and a molecular weight of 447.51 g/mol. Its IUPAC name is (4S)-3-[(5S)-5-(4-fluorophenyl)-5-phenylmethoxypentanoyl]-4-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[(5S)-5-(4-fluorophenyl)-5-phenylmethoxypentanoyl]-4-phenyl-1,3-oxazolidin-2-one
PubChem CID58895863
Molecular FormulaC27H26FNO4
Molecular Weight447.51 g/mol
Exact Mass447.18
IUPAC Name(4S)-3-[(5S)-5-(4-fluorophenyl)-5-phenylmethoxypentanoyl]-4-phenyl-1,3-oxazolidin-2-one
SMILESO=C(CCC[C@H](OCc1ccccc1)c1ccc(F)cc1)N1C(=O)OC[C@@H]1c1ccccc1
InChIInChI=1S/C27H26FNO4/c28-23-16-14-22(15-17-23)25(32-18-20-8-3-1-4-9-20)12-7-13-26(30)29-24(19-33-27(29)31)21-10-5-2-6-11-21/h1-6,8-11,14-17,24-25H,7,12-13,18-19H2/t24-,25+/m1/s1
InChIKeyWGGUTTPLVIUJIS-RPBOFIJWSA-N
XLogP5.97
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.51
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4S)-3-[(5S)-5-(4-Fluorophenyl)-5-hydroxypentanoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 10269700
2-[4-[4-fluoro-2-[[(4S,5R)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]methyl]phenyl]phenyl]acetic acid
CID 57391226
3-[3-[2-[[(4S,5R)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]methyl]-4-(trifluoromethyl)phenyl]phenyl]propanoic acid
CID 57398275
(S)-3-((R)-5-(4-Fluorophenyl)-5-hydroxypentanoyl)-4-phenyloxazolidin-2-one
CID 29980403
tert-butyl (3R,5S)-3-fluoro-2-oxo-5-(trityloxymethyl)pyrrolidine-1-carboxylate
CID 11005272
Ethyl 3-(3-benzyl-2-oxo-5-phenyl-1,3-oxazolidin-5-yl)-2,2-difluoropropanoate
CID 141503470
3-Benzyl-5-phenyl-oxazolidine-2,4-dione
CID 272805
(4S,5R)-3-[(2S)-2-fluoro-2-phenylacetyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one
CID 11077869
(4R,5S)-3-[(E,2R)-2-fluoro-5-phenylmethoxypent-3-enoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one
CID 11079493
(4S)-3-[(2R)-4-(2,4-difluorophenyl)-2-(phenylmethoxymethyl)pent-4-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 15238249
(4R,5S)-3-[(2R)-2-fluoro-2-phenylacetyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one
CID 15402825
(4R)-4-benzyl-3-[(2S)-2-[(2-fluoro-4-methylphenyl)methyl]-3-phenylmethoxypropanoyl]-1,3-oxazolidin-2-one
CID 21580032

Frequently Asked Questions

What is the IUPAC name of (4S)-3-[(5S)-5-(4-fluorophenyl)-5-phenylmethoxypentanoyl]-4-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-[(5S)-5-(4-fluorophenyl)-5-phenylmethoxypentanoyl]-4-phenyl-1,3-oxazolidin-2-one (CID 58895863) is (4S)-3-[(5S)-5-(4-fluorophenyl)-5-phenylmethoxypentanoyl]-4-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-[(5S)-5-(4-fluorophenyl)-5-phenylmethoxypentanoyl]-4-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-[(5S)-5-(4-fluorophenyl)-5-phenylmethoxypentanoyl]-4-phenyl-1,3-oxazolidin-2-one is O=C(CCC[C@H](OCc1ccccc1)c1ccc(F)cc1)N1C(=O)OC[C@@H]1c1ccccc1.
What is the InChIKey of (4S)-3-[(5S)-5-(4-fluorophenyl)-5-phenylmethoxypentanoyl]-4-phenyl-1,3-oxazolidin-2-one?
The InChIKey is WGGUTTPLVIUJIS-RPBOFIJWSA-N. The full InChI is InChI=1S/C27H26FNO4/c28-23-16-14-22(15-17-23)25(32-18-20-8-3-1-4-9-20)12-7-13-26(30)29-24(19-33-27(29)31)21-10-5-2-6-11-21/h1-6,8-11,14-17,24-25H,7,12-13,18-19H2/t24-,25+/m1/s1.
What are the key properties of (4S)-3-[(5S)-5-(4-fluorophenyl)-5-phenylmethoxypentanoyl]-4-phenyl-1,3-oxazolidin-2-one?
(4S)-3-[(5S)-5-(4-fluorophenyl)-5-phenylmethoxypentanoyl]-4-phenyl-1,3-oxazolidin-2-one has a molecular weight of 447.51 g/mol, XLogP of 5.97, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[(5S)-5-(4-fluorophenyl)-5-phenylmethoxypentanoyl]-4-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 58895863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).