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

C20H21NO3 — CID 10592004

IUPAC(4S)-4-benzyl-3-(4-phenylbutanoyl)-1,3-oxazolidin-2-one
SMILESO=C(CCCc1ccccc1)N1C(=O)OC[C@@H]1Cc1ccccc1
InChIInChI=1S/C20H21NO3/c22-19(13-7-12-16-8-3-1-4-9-16)21-18(15-24-20(21)23)14-17-10-5-2-6-11-17/h1-6,8-11,18H,7,12-15H2/t18-/m0/s1
InChIKeyYBRNOEDQAAWPSA-SFHVURJKSA-N
MW323.39 g/mol
LogP3.60
Rot. Bonds6

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

(4S)-4-benzyl-3-(4-phenylbutanoyl)-1,3-oxazolidin-2-one (PubChem CID 10592004) has the molecular formula C20H21NO3 and a molecular weight of 323.39 g/mol. Its IUPAC name is (4S)-4-benzyl-3-(4-phenylbutanoyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-benzyl-3-(4-phenylbutanoyl)-1,3-oxazolidin-2-one
PubChem CID10592004
Molecular FormulaC20H21NO3
Molecular Weight323.39 g/mol
Exact Mass323.15
IUPAC Name(4S)-4-benzyl-3-(4-phenylbutanoyl)-1,3-oxazolidin-2-one
SMILESO=C(CCCc1ccccc1)N1C(=O)OC[C@@H]1Cc1ccccc1
InChIInChI=1S/C20H21NO3/c22-19(13-7-12-16-8-3-1-4-9-16)21-18(15-24-20(21)23)14-17-10-5-2-6-11-17/h1-6,8-11,18H,7,12-15H2/t18-/m0/s1
InChIKeyYBRNOEDQAAWPSA-SFHVURJKSA-N
XLogP3.60
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-4-benzyl-3-(6-phenylhexanoyl)-1,3-oxazolidin-2-one
CID 70251380
1,6-bis[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]hexane-1,6-dione
CID 92642348
4-benzyl-3-(5-pyridin-4-ylpentanoyl)-1,3-oxazolidin-2-one
CID 23373753
(4R)-4-benzyl-3-[3-(4-chlorophenyl)propanoyl]-1,3-oxazolidin-2-one
CID 69077529
(4R)-4-benzyl-3-octanoyl-1,3-oxazolidin-2-one
CID 10286343
(4R)-4-benzyl-3-undecanoyl-1,3-oxazolidin-2-one
CID 71349223
(4R)-4-benzyl-3-[3-(4-bromophenyl)propanoyl]-1,3-oxazolidin-2-one
CID 57045887
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
(4S)-3-(3-azulen-1-ylpropanoyl)-4-benzyl-1,3-oxazolidin-2-one
CID 15432210
(4S)-4-benzyl-3-(4,4,4-trifluorobutanoyl)-1,3-oxazolidin-2-one
CID 71477692
(4S)-4-benzyl-3-pent-4-ynoyl-1,3-oxazolidin-2-one
CID 102401586

Frequently Asked Questions

What is the IUPAC name of (4S)-4-benzyl-3-(4-phenylbutanoyl)-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-benzyl-3-(4-phenylbutanoyl)-1,3-oxazolidin-2-one (CID 10592004) is (4S)-4-benzyl-3-(4-phenylbutanoyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-benzyl-3-(4-phenylbutanoyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-benzyl-3-(4-phenylbutanoyl)-1,3-oxazolidin-2-one is O=C(CCCc1ccccc1)N1C(=O)OC[C@@H]1Cc1ccccc1.
What is the InChIKey of (4S)-4-benzyl-3-(4-phenylbutanoyl)-1,3-oxazolidin-2-one?
The InChIKey is YBRNOEDQAAWPSA-SFHVURJKSA-N. The full InChI is InChI=1S/C20H21NO3/c22-19(13-7-12-16-8-3-1-4-9-16)21-18(15-24-20(21)23)14-17-10-5-2-6-11-17/h1-6,8-11,18H,7,12-15H2/t18-/m0/s1.
What are the key properties of (4S)-4-benzyl-3-(4-phenylbutanoyl)-1,3-oxazolidin-2-one?
(4S)-4-benzyl-3-(4-phenylbutanoyl)-1,3-oxazolidin-2-one has a molecular weight of 323.39 g/mol, XLogP of 3.60, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-benzyl-3-(4-phenylbutanoyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 10592004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).