4-benzyl-3-[(E)-5-methyl-6-phosphanyloxyhex-4-enoyl]-1,3-oxazolidin-2-one

C17H22NO4P — CID 23397650

IUPAC4-benzyl-3-[(E)-5-methyl-6-phosphanyloxyhex-4-enoyl]-1,3-oxazolidin-2-one
SMILESC/C(=C\CCC(=O)N1C(=O)OCC1Cc1ccccc1)COP
InChIInChI=1S/C17H22NO4P/c1-13(11-22-23)6-5-9-16(19)18-15(12-21-17(18)20)10-14-7-3-2-4-8-14/h2-4,6-8,15H,5,9-12,23H2,1H3/b13-6+
InChIKeyNJCLBJJJJVRMSW-AWNIVKPZSA-N
MW335.34 g/mol
LogP3.11
Rot. Bonds7

About 4-benzyl-3-[(E)-5-methyl-6-phosphanyloxyhex-4-enoyl]-1,3-oxazolidin-2-one

4-benzyl-3-[(E)-5-methyl-6-phosphanyloxyhex-4-enoyl]-1,3-oxazolidin-2-one (PubChem CID 23397650) has the molecular formula C17H22NO4P and a molecular weight of 335.34 g/mol. Its IUPAC name is 4-benzyl-3-[(E)-5-methyl-6-phosphanyloxyhex-4-enoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-benzyl-3-[(E)-5-methyl-6-phosphanyloxyhex-4-enoyl]-1,3-oxazolidin-2-one
PubChem CID23397650
Molecular FormulaC17H22NO4P
Molecular Weight335.34 g/mol
Exact Mass335.13
IUPAC Name4-benzyl-3-[(E)-5-methyl-6-phosphanyloxyhex-4-enoyl]-1,3-oxazolidin-2-one
SMILESC/C(=C\CCC(=O)N1C(=O)OCC1Cc1ccccc1)COP
InChIInChI=1S/C17H22NO4P/c1-13(11-22-23)6-5-9-16(19)18-15(12-21-17(18)20)10-14-7-3-2-4-8-14/h2-4,6-8,15H,5,9-12,23H2,1H3/b13-6+
InChIKeyNJCLBJJJJVRMSW-AWNIVKPZSA-N
XLogP3.11
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.34
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1,6-bis[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]hexane-1,6-dione
CID 92642348
(4S)-3-acetyl-4-benzyl-1,3-oxazolidin-2-one
CID 735929
1-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]hexane-1,4-dione
CID 176582828
(4S)-4-benzyl-3-(4-phenylbutanoyl)-1,3-oxazolidin-2-one
CID 10592004
(4R)-4-benzyl-3-undecanoyl-1,3-oxazolidin-2-one
CID 71349223
(4R)-4-benzyl-3-(2-propan-2-yloxyacetyl)-1,3-oxazolidin-2-one
CID 90130755
(4R)-4-benzyl-3-octanoyl-1,3-oxazolidin-2-one
CID 10286343
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)-4-benzyl-3-pent-4-ynoyl-1,3-oxazolidin-2-one
CID 102401586
(4R)-4-benzyl-3-(6-phenylhexanoyl)-1,3-oxazolidin-2-one
CID 70251380
(4S)-4-benzyl-3-(4,4,4-trifluorobutanoyl)-1,3-oxazolidin-2-one
CID 71477692

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-3-[(E)-5-methyl-6-phosphanyloxyhex-4-enoyl]-1,3-oxazolidin-2-one?
The IUPAC name of 4-benzyl-3-[(E)-5-methyl-6-phosphanyloxyhex-4-enoyl]-1,3-oxazolidin-2-one (CID 23397650) is 4-benzyl-3-[(E)-5-methyl-6-phosphanyloxyhex-4-enoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-benzyl-3-[(E)-5-methyl-6-phosphanyloxyhex-4-enoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 4-benzyl-3-[(E)-5-methyl-6-phosphanyloxyhex-4-enoyl]-1,3-oxazolidin-2-one is C/C(=C\CCC(=O)N1C(=O)OCC1Cc1ccccc1)COP.
What is the InChIKey of 4-benzyl-3-[(E)-5-methyl-6-phosphanyloxyhex-4-enoyl]-1,3-oxazolidin-2-one?
The InChIKey is NJCLBJJJJVRMSW-AWNIVKPZSA-N. The full InChI is InChI=1S/C17H22NO4P/c1-13(11-22-23)6-5-9-16(19)18-15(12-21-17(18)20)10-14-7-3-2-4-8-14/h2-4,6-8,15H,5,9-12,23H2,1H3/b13-6+.
What are the key properties of 4-benzyl-3-[(E)-5-methyl-6-phosphanyloxyhex-4-enoyl]-1,3-oxazolidin-2-one?
4-benzyl-3-[(E)-5-methyl-6-phosphanyloxyhex-4-enoyl]-1,3-oxazolidin-2-one has a molecular weight of 335.34 g/mol, XLogP of 3.11, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-3-[(E)-5-methyl-6-phosphanyloxyhex-4-enoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 23397650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).