4-benzyl-3-(4-methylhept-5-enoyl)-1,3-oxazolidin-2-one

C18H23NO3 — CID 123798412

IUPAC4-benzyl-3-(4-methylhept-5-enoyl)-1,3-oxazolidin-2-one
SMILESCC=CC(C)CCC(=O)N1C(=O)OCC1Cc1ccccc1
InChIInChI=1S/C18H23NO3/c1-3-7-14(2)10-11-17(20)19-16(13-22-18(19)21)12-15-8-5-4-6-9-15/h3-9,14,16H,10-13H2,1-2H3
InChIKeyLLFSBXPJTXSGLM-UHFFFAOYSA-N
MW301.39 g/mol
LogP3.57
Rot. Bonds6

About 4-benzyl-3-(4-methylhept-5-enoyl)-1,3-oxazolidin-2-one

4-benzyl-3-(4-methylhept-5-enoyl)-1,3-oxazolidin-2-one (PubChem CID 123798412) has the molecular formula C18H23NO3 and a molecular weight of 301.39 g/mol. Its IUPAC name is 4-benzyl-3-(4-methylhept-5-enoyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-benzyl-3-(4-methylhept-5-enoyl)-1,3-oxazolidin-2-one
PubChem CID123798412
Molecular FormulaC18H23NO3
Molecular Weight301.39 g/mol
Exact Mass301.17
IUPAC Name4-benzyl-3-(4-methylhept-5-enoyl)-1,3-oxazolidin-2-one
SMILESCC=CC(C)CCC(=O)N1C(=O)OCC1Cc1ccccc1
InChIInChI=1S/C18H23NO3/c1-3-7-14(2)10-11-17(20)19-16(13-22-18(19)21)12-15-8-5-4-6-9-15/h3-9,14,16H,10-13H2,1-2H3
InChIKeyLLFSBXPJTXSGLM-UHFFFAOYSA-N
XLogP3.57
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4S)-4-benzyl-3-[(E)-2-methylpent-3-enoyl]-1,3-oxazolidin-2-one
CID 126628879
1,6-bis[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]hexane-1,6-dione
CID 92642348
(4R)-4-benzyl-3-[(E,2S,3S)-3-hydroxy-2-methylhex-4-enoyl]-1,3-oxazolidin-2-one
CID 11266657
1-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]hexane-1,4-dione
CID 176582828
4-benzyl-3-[(E)-but-2-enoyl]-1,3-oxazolidin-2-one
CID 6383358
(4S)-4-benzyl-3-(4-phenylbutanoyl)-1,3-oxazolidin-2-one
CID 10592004
(4R)-4-benzyl-3-(2-propan-2-yloxyacetyl)-1,3-oxazolidin-2-one
CID 90130755
(4R)-4-benzyl-3-undecanoyl-1,3-oxazolidin-2-one
CID 71349223
(4R)-4-benzyl-3-octanoyl-1,3-oxazolidin-2-one
CID 10286343
(4R)-4-benzyl-3-[(E)-1-hydroxyprop-1-enyl]-1,3-oxazolidin-2-one
CID 100990536
(4S)-4-benzyl-3-(2-phenylacetyl)-1,3-oxazolidin-2-one
CID 11130206
4-benzyl-3-(2-phenylacetyl)-1,3-oxazolidin-2-one
CID 15597771

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-3-(4-methylhept-5-enoyl)-1,3-oxazolidin-2-one?
The IUPAC name of 4-benzyl-3-(4-methylhept-5-enoyl)-1,3-oxazolidin-2-one (CID 123798412) is 4-benzyl-3-(4-methylhept-5-enoyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-benzyl-3-(4-methylhept-5-enoyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 4-benzyl-3-(4-methylhept-5-enoyl)-1,3-oxazolidin-2-one is CC=CC(C)CCC(=O)N1C(=O)OCC1Cc1ccccc1.
What is the InChIKey of 4-benzyl-3-(4-methylhept-5-enoyl)-1,3-oxazolidin-2-one?
The InChIKey is LLFSBXPJTXSGLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO3/c1-3-7-14(2)10-11-17(20)19-16(13-22-18(19)21)12-15-8-5-4-6-9-15/h3-9,14,16H,10-13H2,1-2H3.
What are the key properties of 4-benzyl-3-(4-methylhept-5-enoyl)-1,3-oxazolidin-2-one?
4-benzyl-3-(4-methylhept-5-enoyl)-1,3-oxazolidin-2-one has a molecular weight of 301.39 g/mol, XLogP of 3.57, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-3-(4-methylhept-5-enoyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 123798412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).