(4S)-4-benzyl-3-(2-phenylacetyl)-1,3-oxazolidin-2-one

C18H17NO3 — CID 11130206

IUPAC(4S)-4-benzyl-3-(2-phenylacetyl)-1,3-oxazolidin-2-one
SMILESO=C(Cc1ccccc1)N1C(=O)OC[C@@H]1Cc1ccccc1
InChIInChI=1S/C18H17NO3/c20-17(12-15-9-5-2-6-10-15)19-16(13-22-18(19)21)11-14-7-3-1-4-8-14/h1-10,16H,11-13H2/t16-/m0/s1
InChIKeyAQFHLFHMTNGCPQ-INIZCTEOSA-N
MW295.34 g/mol
LogP2.82
Rot. Bonds4

About (4S)-4-benzyl-3-(2-phenylacetyl)-1,3-oxazolidin-2-one

(4S)-4-benzyl-3-(2-phenylacetyl)-1,3-oxazolidin-2-one (PubChem CID 11130206) has the molecular formula C18H17NO3 and a molecular weight of 295.34 g/mol. Its IUPAC name is (4S)-4-benzyl-3-(2-phenylacetyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-benzyl-3-(2-phenylacetyl)-1,3-oxazolidin-2-one
PubChem CID11130206
Molecular FormulaC18H17NO3
Molecular Weight295.34 g/mol
Exact Mass295.12
IUPAC Name(4S)-4-benzyl-3-(2-phenylacetyl)-1,3-oxazolidin-2-one
SMILESO=C(Cc1ccccc1)N1C(=O)OC[C@@H]1Cc1ccccc1
InChIInChI=1S/C18H17NO3/c20-17(12-15-9-5-2-6-10-15)19-16(13-22-18(19)21)11-14-7-3-1-4-8-14/h1-10,16H,11-13H2/t16-/m0/s1
InChIKeyAQFHLFHMTNGCPQ-INIZCTEOSA-N
XLogP2.82
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-benzyl-3-(2-phenylacetyl)-1,3-oxazolidin-2-one
CID 15597771
4-benzyl-3-[2-(4-methylphenyl)acetyl]-1,3-oxazolidin-2-one
CID 72957232
(4R)-4-benzyl-3-[2-(2-ethylphenyl)acetyl]-1,3-oxazolidin-2-one
CID 131876215
1,6-bis[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]hexane-1,6-dione
CID 92642348
(4S)-3-[2-(3-benzoylphenyl)acetyl]-4-benzyl-1,3-oxazolidin-2-one
CID 15935410
(4R)-4-benzyl-3-[2-(4-chloro-3-fluorophenyl)acetyl]-1,3-oxazolidin-2-one
CID 59580359
(4R)-4-benzyl-3-[2-(2-fluorophenyl)acetyl]-1,3-oxazolidin-2-one;2-(2-fluorophenyl)acetic acid
CID 167582466
(4S)-4-benzyl-3-(4,4,4-trifluorobutanoyl)-1,3-oxazolidin-2-one
CID 71477692
(4S)-3-acetyl-4-benzyl-1,3-oxazolidin-2-one
CID 735929
(4S)-4-benzyl-3-(4-phenylbutanoyl)-1,3-oxazolidin-2-one
CID 10592004
(4S)-4-benzyl-3-[2-(3-bromo-2-fluorophenyl)acetyl]-1,3-oxazolidin-2-one
CID 167505232
4-benzyl-3-(3-hydroxy-3-phenylbutanoyl)-1,3-oxazolidin-2-one
CID 118938439

Frequently Asked Questions

What is the IUPAC name of (4S)-4-benzyl-3-(2-phenylacetyl)-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-benzyl-3-(2-phenylacetyl)-1,3-oxazolidin-2-one (CID 11130206) is (4S)-4-benzyl-3-(2-phenylacetyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-benzyl-3-(2-phenylacetyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-benzyl-3-(2-phenylacetyl)-1,3-oxazolidin-2-one is O=C(Cc1ccccc1)N1C(=O)OC[C@@H]1Cc1ccccc1.
What is the InChIKey of (4S)-4-benzyl-3-(2-phenylacetyl)-1,3-oxazolidin-2-one?
The InChIKey is AQFHLFHMTNGCPQ-INIZCTEOSA-N. The full InChI is InChI=1S/C18H17NO3/c20-17(12-15-9-5-2-6-10-15)19-16(13-22-18(19)21)11-14-7-3-1-4-8-14/h1-10,16H,11-13H2/t16-/m0/s1.
What are the key properties of (4S)-4-benzyl-3-(2-phenylacetyl)-1,3-oxazolidin-2-one?
(4S)-4-benzyl-3-(2-phenylacetyl)-1,3-oxazolidin-2-one has a molecular weight of 295.34 g/mol, XLogP of 2.82, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-benzyl-3-(2-phenylacetyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 11130206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).