4-benzyl-3-(1-phenylethyl)-1,3-oxazolidin-2-one

C18H19NO2 — CID 68997353

IUPAC4-benzyl-3-(1-phenylethyl)-1,3-oxazolidin-2-one
SMILESCC(c1ccccc1)N1C(=O)OCC1Cc1ccccc1
InChIInChI=1S/C18H19NO2/c1-14(16-10-6-3-7-11-16)19-17(13-21-18(19)20)12-15-8-4-2-5-9-15/h2-11,14,17H,12-13H2,1H3
InChIKeyQPBADNPROJGBGA-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.81
Rot. Bonds4

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

4-benzyl-3-(1-phenylethyl)-1,3-oxazolidin-2-one (PubChem CID 68997353) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 4-benzyl-3-(1-phenylethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-benzyl-3-(1-phenylethyl)-1,3-oxazolidin-2-one
PubChem CID68997353
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Name4-benzyl-3-(1-phenylethyl)-1,3-oxazolidin-2-one
SMILESCC(c1ccccc1)N1C(=O)OCC1Cc1ccccc1
InChIInChI=1S/C18H19NO2/c1-14(16-10-6-3-7-11-16)19-17(13-21-18(19)20)12-15-8-4-2-5-9-15/h2-11,14,17H,12-13H2,1H3
InChIKeyQPBADNPROJGBGA-UHFFFAOYSA-N
XLogP3.81
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4R)-4-benzyl-3-(1-sulfanylethyl)-1,3-oxazolidin-2-one
CID 170024134
(4S)-4-benzyl-3-[(1S)-1-sulfanylethyl]-1,3-oxazolidin-2-one
CID 139924962
(4R)-4-benzyl-3-[(1R)-1-sulfanylethyl]-1,3-oxazolidin-2-one
CID 139924961
(4S)-4-benzyl-3-[(2S,3S)-3-hydroxy-2-methyl-3-phenylpropanoyl]-1,3-oxazolidin-2-one
CID 10497286
(4R)-4-benzyl-3-methyl-1,3-oxazolidin-2-one
CID 14836208
(4R)-4-benzyl-3-(4-methyl-3-phenylpentanoyl)-1,3-oxazolidin-2-one
CID 100948287
(3S,6S)-3,6-dibenzyl-1,4-bis[(1S)-1-phenylethyl]piperazine-2,5-dione
CID 11730822
(4S)-4-benzyl-3-propyl-1,3-oxazolidin-2-one
CID 155294169
(4S)-3-acetyl-4-benzyl-1,3-oxazolidin-2-one
CID 735929
(4R)-4-(benzenesulfonyl)-3-[(1R)-1-phenylethyl]-1,3-oxazolidin-2-one
CID 102464759
(4R)-4-benzyl-3-[(2S)-3-fluoro-2-methylpropanoyl]-1,3-oxazolidin-2-one
CID 129274259
(2R)-1-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-2-methylbutane-1,3-dione
CID 102120797

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-3-(1-phenylethyl)-1,3-oxazolidin-2-one?
The IUPAC name of 4-benzyl-3-(1-phenylethyl)-1,3-oxazolidin-2-one (CID 68997353) is 4-benzyl-3-(1-phenylethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-benzyl-3-(1-phenylethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 4-benzyl-3-(1-phenylethyl)-1,3-oxazolidin-2-one is CC(c1ccccc1)N1C(=O)OCC1Cc1ccccc1.
What is the InChIKey of 4-benzyl-3-(1-phenylethyl)-1,3-oxazolidin-2-one?
The InChIKey is QPBADNPROJGBGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c1-14(16-10-6-3-7-11-16)19-17(13-21-18(19)20)12-15-8-4-2-5-9-15/h2-11,14,17H,12-13H2,1H3.
What are the key properties of 4-benzyl-3-(1-phenylethyl)-1,3-oxazolidin-2-one?
4-benzyl-3-(1-phenylethyl)-1,3-oxazolidin-2-one has a molecular weight of 281.36 g/mol, XLogP of 3.81, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-3-(1-phenylethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 68997353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).