(4S)-3-[(Z,2S)-2-hydroxy-5-methyl-6-phosphanyloxyhex-4-enoyl]-4-methyl-1,3-oxazolidin-2-one

C11H18NO5P — CID 59077232

IUPAC(4S)-3-[(Z,2S)-2-hydroxy-5-methyl-6-phosphanyloxyhex-4-enoyl]-4-methyl-1,3-oxazolidin-2-one
SMILESC/C(=C/C[C@H](O)C(=O)N1C(=O)OC[C@@H]1C)COP
InChIInChI=1S/C11H18NO5P/c1-7(5-17-18)3-4-9(13)10(14)12-8(2)6-16-11(12)15/h3,8-9,13H,4-6,18H2,1-2H3/b7-3-/t8-,9-/m0/s1
InChIKeyRVQAKGZWGHUTIB-MTMYIVCTSA-N
MW275.24 g/mol
LogP0.86
Rot. Bonds5

About (4S)-3-[(Z,2S)-2-hydroxy-5-methyl-6-phosphanyloxyhex-4-enoyl]-4-methyl-1,3-oxazolidin-2-one

(4S)-3-[(Z,2S)-2-hydroxy-5-methyl-6-phosphanyloxyhex-4-enoyl]-4-methyl-1,3-oxazolidin-2-one (PubChem CID 59077232) has the molecular formula C11H18NO5P and a molecular weight of 275.24 g/mol. Its IUPAC name is (4S)-3-[(Z,2S)-2-hydroxy-5-methyl-6-phosphanyloxyhex-4-enoyl]-4-methyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[(Z,2S)-2-hydroxy-5-methyl-6-phosphanyloxyhex-4-enoyl]-4-methyl-1,3-oxazolidin-2-one
PubChem CID59077232
Molecular FormulaC11H18NO5P
Molecular Weight275.24 g/mol
Exact Mass275.09
IUPAC Name(4S)-3-[(Z,2S)-2-hydroxy-5-methyl-6-phosphanyloxyhex-4-enoyl]-4-methyl-1,3-oxazolidin-2-one
SMILESC/C(=C/C[C@H](O)C(=O)N1C(=O)OC[C@@H]1C)COP
InChIInChI=1S/C11H18NO5P/c1-7(5-17-18)3-4-9(13)10(14)12-8(2)6-16-11(12)15/h3,8-9,13H,4-6,18H2,1-2H3/b7-3-/t8-,9-/m0/s1
InChIKeyRVQAKGZWGHUTIB-MTMYIVCTSA-N
XLogP0.86
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.24
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (4S)-3-[(Z,2S)-2-hydroxy-5-methyl-6-phosphanyloxyhex-4-enoyl]-4-methyl-1,3-oxazolidin-2-one with MolForge

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Related Compounds

(4S)-3-[(Z,2S)-2,5-dimethyl-6-phosphanyloxyhex-4-enoyl]-4-methyl-1,3-oxazolidin-2-one
CID 59077229
3-(2-fluoropropanoyl)-4-methyl-1,3-oxazolidin-2-one
CID 123819109
(4S)-4-benzyl-3-[(Z,2S)-2-hydroxy-5-methyl-6-(oxan-2-yloxy)hex-4-enoyl]-1,3-oxazolidin-2-one
CID 10621193
4-benzyl-3-[(E)-5-methyl-6-phosphanyloxyhex-4-enoyl]-1,3-oxazolidin-2-one
CID 23397650
3-but-2-enoyl-4-methyl-1,3-oxazolidin-2-one
CID 59890147
(4S)-4-ethyl-3-[(2S)-2-hydroxy-3-[(4S)-2,2,3-trimethyl-1,3-oxazolidin-4-yl]propanoyl]-1,3-oxazolidin-2-one
CID 59079553
(4S)-3-(2-bromopropanoyl)-4-(2-methylpropyl)-1,3-oxazolidin-2-one
CID 139669339
(4S)-3-(2-chloropropanoyl)-4-(2-methylpropyl)-1,3-oxazolidin-2-one
CID 139669354
(4S)-4-benzyl-3-[(E,2S)-2,4-dimethyl-6-phenylmethoxyhex-4-enoyl]-1,3-oxazolidin-2-one
CID 11661446
tert-butyl (4S)-4-[(2S)-3-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-2-hydroxy-3-oxopropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 59043343
3-(C,N-dimethylcarbonimidoyl)-4-(1-hydroxyethyl)-1,3-oxazolidin-2-one
CID 123245064
(4S)-4-benzyl-3-[(Z,2S,3R)-6-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-2,5-dimethylhex-4-enoyl]-1,3-oxazolidin-2-one
CID 11592251

Frequently Asked Questions

What is the IUPAC name of (4S)-3-[(Z,2S)-2-hydroxy-5-methyl-6-phosphanyloxyhex-4-enoyl]-4-methyl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-[(Z,2S)-2-hydroxy-5-methyl-6-phosphanyloxyhex-4-enoyl]-4-methyl-1,3-oxazolidin-2-one (CID 59077232) is (4S)-3-[(Z,2S)-2-hydroxy-5-methyl-6-phosphanyloxyhex-4-enoyl]-4-methyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-[(Z,2S)-2-hydroxy-5-methyl-6-phosphanyloxyhex-4-enoyl]-4-methyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-[(Z,2S)-2-hydroxy-5-methyl-6-phosphanyloxyhex-4-enoyl]-4-methyl-1,3-oxazolidin-2-one is C/C(=C/C[C@H](O)C(=O)N1C(=O)OC[C@@H]1C)COP.
What is the InChIKey of (4S)-3-[(Z,2S)-2-hydroxy-5-methyl-6-phosphanyloxyhex-4-enoyl]-4-methyl-1,3-oxazolidin-2-one?
The InChIKey is RVQAKGZWGHUTIB-MTMYIVCTSA-N. The full InChI is InChI=1S/C11H18NO5P/c1-7(5-17-18)3-4-9(13)10(14)12-8(2)6-16-11(12)15/h3,8-9,13H,4-6,18H2,1-2H3/b7-3-/t8-,9-/m0/s1.
What are the key properties of (4S)-3-[(Z,2S)-2-hydroxy-5-methyl-6-phosphanyloxyhex-4-enoyl]-4-methyl-1,3-oxazolidin-2-one?
(4S)-3-[(Z,2S)-2-hydroxy-5-methyl-6-phosphanyloxyhex-4-enoyl]-4-methyl-1,3-oxazolidin-2-one has a molecular weight of 275.24 g/mol, XLogP of 0.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[(Z,2S)-2-hydroxy-5-methyl-6-phosphanyloxyhex-4-enoyl]-4-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 59077232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).