(4R)-4-benzyl-3-undecanoyl-1,3-oxazolidin-2-one

C21H31NO3 — CID 71349223

IUPAC(4R)-4-benzyl-3-undecanoyl-1,3-oxazolidin-2-one
SMILESCCCCCCCCCCC(=O)N1C(=O)OC[C@H]1Cc1ccccc1
InChIInChI=1S/C21H31NO3/c1-2-3-4-5-6-7-8-12-15-20(23)22-19(17-25-21(22)24)16-18-13-10-9-11-14-18/h9-11,13-14,19H,2-8,12,15-17H2,1H3/t19-/m1/s1
InChIKeyUDMOUQMDMBAMSG-LJQANCHMSA-N
MW345.48 g/mol
LogP5.11
Rot. Bonds11

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

(4R)-4-benzyl-3-undecanoyl-1,3-oxazolidin-2-one (PubChem CID 71349223) has the molecular formula C21H31NO3 and a molecular weight of 345.48 g/mol. Its IUPAC name is (4R)-4-benzyl-3-undecanoyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-4-benzyl-3-undecanoyl-1,3-oxazolidin-2-one
PubChem CID71349223
Molecular FormulaC21H31NO3
Molecular Weight345.48 g/mol
Exact Mass345.23
IUPAC Name(4R)-4-benzyl-3-undecanoyl-1,3-oxazolidin-2-one
SMILESCCCCCCCCCCC(=O)N1C(=O)OC[C@H]1Cc1ccccc1
InChIInChI=1S/C21H31NO3/c1-2-3-4-5-6-7-8-12-15-20(23)22-19(17-25-21(22)24)16-18-13-10-9-11-14-18/h9-11,13-14,19H,2-8,12,15-17H2,1H3/t19-/m1/s1
InChIKeyUDMOUQMDMBAMSG-LJQANCHMSA-N
XLogP5.11
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.48
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(4R)-4-benzyl-3-octanoyl-1,3-oxazolidin-2-one
CID 10286343
1,6-bis[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]hexane-1,6-dione
CID 92642348
(4R)-4-benzyl-3-(6-phenylhexanoyl)-1,3-oxazolidin-2-one
CID 70251380
(4S)-4-benzyl-3-(4-phenylbutanoyl)-1,3-oxazolidin-2-one
CID 10592004
1-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]hexane-1,4-dione
CID 176582828
(4R)-4-benzyl-3-(3-pentyloctanoyl)-1,3-oxazolidin-2-one
CID 177137787
4-benzyl-3-(2-methyldecanoyl)-1,3-oxazolidin-2-one
CID 74430125
4-benzyl-3-(5-pyridin-4-ylpentanoyl)-1,3-oxazolidin-2-one
CID 23373753
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-hexadecyl-1,3-oxazolidin-2-one
CID 150010367

Frequently Asked Questions

What is the IUPAC name of (4R)-4-benzyl-3-undecanoyl-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-4-benzyl-3-undecanoyl-1,3-oxazolidin-2-one (CID 71349223) is (4R)-4-benzyl-3-undecanoyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-4-benzyl-3-undecanoyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-4-benzyl-3-undecanoyl-1,3-oxazolidin-2-one is CCCCCCCCCCC(=O)N1C(=O)OC[C@H]1Cc1ccccc1.
What is the InChIKey of (4R)-4-benzyl-3-undecanoyl-1,3-oxazolidin-2-one?
The InChIKey is UDMOUQMDMBAMSG-LJQANCHMSA-N. The full InChI is InChI=1S/C21H31NO3/c1-2-3-4-5-6-7-8-12-15-20(23)22-19(17-25-21(22)24)16-18-13-10-9-11-14-18/h9-11,13-14,19H,2-8,12,15-17H2,1H3/t19-/m1/s1.
What are the key properties of (4R)-4-benzyl-3-undecanoyl-1,3-oxazolidin-2-one?
(4R)-4-benzyl-3-undecanoyl-1,3-oxazolidin-2-one has a molecular weight of 345.48 g/mol, XLogP of 5.11, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-benzyl-3-undecanoyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 71349223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).