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

C37H34F2N2O7 — CID 167686968

IUPAC(4R)-4-benzyl-3-[2-(2-fluorophenyl)acetyl]-1,3-oxazolidin-2-one;(4R)-4-benzyl-3-[(2S)-2-(2-fluorophenyl)-3-hydroxypropanoyl]-1,3-oxazolidin-2-one
SMILESO=C(Cc1ccccc1F)N1C(=O)OC[C@H]1Cc1ccccc1.O=C1OC[C@@H](Cc2ccccc2)N1C(=O)[C@H](CO)c1ccccc1F
InChIInChI=1S/C19H18FNO4.C18H16FNO3/c20-17-9-5-4-8-15(17)16(11-22)18(23)21-14(12-25-19(21)24)10-13-6-2-1-3-7-13;19-16-9-5-4-8-14(16)11-17(21)20-15(12-23-18(20)22)10-13-6-2-1-3-7-13/h1-9,14,16,22H,10-12H2;1-9,15H,10-12H2/t14-,16-;15-/m11/s1
InChIKeyWIYGSVKSFGRSTD-KGJUULQVSA-N
MW656.68 g/mol
LogP5.45
Rot. Bonds9

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

(4R)-4-benzyl-3-[2-(2-fluorophenyl)acetyl]-1,3-oxazolidin-2-one;(4R)-4-benzyl-3-[(2S)-2-(2-fluorophenyl)-3-hydroxypropanoyl]-1,3-oxazolidin-2-one (PubChem CID 167686968) has the molecular formula C37H34F2N2O7 and a molecular weight of 656.68 g/mol. Its IUPAC name is (4R)-4-benzyl-3-[2-(2-fluorophenyl)acetyl]-1,3-oxazolidin-2-one;(4R)-4-benzyl-3-[(2S)-2-(2-fluorophenyl)-3-hydroxypropanoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-4-benzyl-3-[2-(2-fluorophenyl)acetyl]-1,3-oxazolidin-2-one;(4R)-4-benzyl-3-[(2S)-2-(2-fluorophenyl)-3-hydroxypropanoyl]-1,3-oxazolidin-2-one
PubChem CID167686968
Molecular FormulaC37H34F2N2O7
Molecular Weight656.68 g/mol
Exact Mass656.23
IUPAC Name(4R)-4-benzyl-3-[2-(2-fluorophenyl)acetyl]-1,3-oxazolidin-2-one;(4R)-4-benzyl-3-[(2S)-2-(2-fluorophenyl)-3-hydroxypropanoyl]-1,3-oxazolidin-2-one
SMILESO=C(Cc1ccccc1F)N1C(=O)OC[C@H]1Cc1ccccc1.O=C1OC[C@@H](Cc2ccccc2)N1C(=O)[C@H](CO)c1ccccc1F
InChIInChI=1S/C19H18FNO4.C18H16FNO3/c20-17-9-5-4-8-15(17)16(11-22)18(23)21-14(12-25-19(21)24)10-13-6-2-1-3-7-13;19-16-9-5-4-8-14(16)11-17(21)20-15(12-23-18(20)22)10-13-6-2-1-3-7-13/h1-9,14,16,22H,10-12H2;1-9,15H,10-12H2/t14-,16-;15-/m11/s1
InChIKeyWIYGSVKSFGRSTD-KGJUULQVSA-N
XLogP5.45
TPSA113.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500656.68
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(4R)-4-benzyl-3-[2-(2-fluorophenyl)acetyl]-1,3-oxazolidin-2-one;2-(2-fluorophenyl)acetic acid
CID 167582466
(4R)-4-benzyl-3-[(2S)-2-(2-chloro-3-fluorophenyl)-3-hydroxypropanoyl]-1,3-oxazolidin-2-one;(2S)-2-(2-chloro-3-fluorophenyl)-3-hydroxypropanoic acid
CID 167667053
4-benzyl-3-(2-phenylacetyl)-1,3-oxazolidin-2-one
CID 15597771
(4S)-4-benzyl-3-(2-phenylacetyl)-1,3-oxazolidin-2-one
CID 11130206
(4R)-4-benzyl-3-[2-(2-ethylphenyl)acetyl]-1,3-oxazolidin-2-one
CID 131876215
(4S)-4-benzyl-3-[2-(3-bromo-2-fluorophenyl)acetyl]-1,3-oxazolidin-2-one
CID 167505232
(4S)-4-benzyl-3-[2-[2-(trifluoromethoxy)phenyl]acetyl]-1,3-oxazolidin-2-one
CID 16755427
(4R)-4-benzyl-3-[2-(4-chloro-3-fluorophenyl)acetyl]-1,3-oxazolidin-2-one
CID 59580359
(4S)-4-benzyl-3-[(2R)-2-(hydroxymethyl)butanoyl]-1,3-oxazolidin-2-one
CID 10016346
(2R)-1-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-2-methylbutane-1,3-dione
CID 102120797
(4R)-4-benzyl-3-[(2S)-3-fluoro-2-methylpropanoyl]-1,3-oxazolidin-2-one
CID 129274259
1,6-bis[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]hexane-1,6-dione
CID 92642348

Frequently Asked Questions

What is the IUPAC name of (4R)-4-benzyl-3-[2-(2-fluorophenyl)acetyl]-1,3-oxazolidin-2-one;(4R)-4-benzyl-3-[(2S)-2-(2-fluorophenyl)-3-hydroxypropanoyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-4-benzyl-3-[2-(2-fluorophenyl)acetyl]-1,3-oxazolidin-2-one;(4R)-4-benzyl-3-[(2S)-2-(2-fluorophenyl)-3-hydroxypropanoyl]-1,3-oxazolidin-2-one (CID 167686968) is (4R)-4-benzyl-3-[2-(2-fluorophenyl)acetyl]-1,3-oxazolidin-2-one;(4R)-4-benzyl-3-[(2S)-2-(2-fluorophenyl)-3-hydroxypropanoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-4-benzyl-3-[2-(2-fluorophenyl)acetyl]-1,3-oxazolidin-2-one;(4R)-4-benzyl-3-[(2S)-2-(2-fluorophenyl)-3-hydroxypropanoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-4-benzyl-3-[2-(2-fluorophenyl)acetyl]-1,3-oxazolidin-2-one;(4R)-4-benzyl-3-[(2S)-2-(2-fluorophenyl)-3-hydroxypropanoyl]-1,3-oxazolidin-2-one is O=C(Cc1ccccc1F)N1C(=O)OC[C@H]1Cc1ccccc1.O=C1OC[C@@H](Cc2ccccc2)N1C(=O)[C@H](CO)c1ccccc1F.
What is the InChIKey of (4R)-4-benzyl-3-[2-(2-fluorophenyl)acetyl]-1,3-oxazolidin-2-one;(4R)-4-benzyl-3-[(2S)-2-(2-fluorophenyl)-3-hydroxypropanoyl]-1,3-oxazolidin-2-one?
The InChIKey is WIYGSVKSFGRSTD-KGJUULQVSA-N. The full InChI is InChI=1S/C19H18FNO4.C18H16FNO3/c20-17-9-5-4-8-15(17)16(11-22)18(23)21-14(12-25-19(21)24)10-13-6-2-1-3-7-13;19-16-9-5-4-8-14(16)11-17(21)20-15(12-23-18(20)22)10-13-6-2-1-3-7-13/h1-9,14,16,22H,10-12H2;1-9,15H,10-12H2/t14-,16-;15-/m11/s1.
What are the key properties of (4R)-4-benzyl-3-[2-(2-fluorophenyl)acetyl]-1,3-oxazolidin-2-one;(4R)-4-benzyl-3-[(2S)-2-(2-fluorophenyl)-3-hydroxypropanoyl]-1,3-oxazolidin-2-one?
(4R)-4-benzyl-3-[2-(2-fluorophenyl)acetyl]-1,3-oxazolidin-2-one;(4R)-4-benzyl-3-[(2S)-2-(2-fluorophenyl)-3-hydroxypropanoyl]-1,3-oxazolidin-2-one has a molecular weight of 656.68 g/mol, XLogP of 5.45, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-benzyl-3-[2-(2-fluorophenyl)acetyl]-1,3-oxazolidin-2-one;(4R)-4-benzyl-3-[(2S)-2-(2-fluorophenyl)-3-hydroxypropanoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 167686968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).