(4S)-3-[(5S)-5-(4-fluorophenyl)-5-hydroxypentanoyl]-4-phosphanyl-1,3-oxazolidin-2-one

C14H17FNO4P — CID 71228944

IUPAC(4S)-3-[(5S)-5-(4-fluorophenyl)-5-hydroxypentanoyl]-4-phosphanyl-1,3-oxazolidin-2-one
SMILESO=C(CCC[C@H](O)c1ccc(F)cc1)N1C(=O)OC[C@@H]1P
InChIInChI=1S/C14H17FNO4P/c15-10-6-4-9(5-7-10)11(17)2-1-3-12(18)16-13(21)8-20-14(16)19/h4-7,11,13,17H,1-3,8,21H2/t11-,13-/m0/s1
InChIKeyGVNMPIBRSXIYGV-AAEUAGOBSA-N
MW313.26 g/mol
LogP2.21
Rot. Bonds5

About (4S)-3-[(5S)-5-(4-fluorophenyl)-5-hydroxypentanoyl]-4-phosphanyl-1,3-oxazolidin-2-one

(4S)-3-[(5S)-5-(4-fluorophenyl)-5-hydroxypentanoyl]-4-phosphanyl-1,3-oxazolidin-2-one (PubChem CID 71228944) has the molecular formula C14H17FNO4P and a molecular weight of 313.26 g/mol. Its IUPAC name is (4S)-3-[(5S)-5-(4-fluorophenyl)-5-hydroxypentanoyl]-4-phosphanyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[(5S)-5-(4-fluorophenyl)-5-hydroxypentanoyl]-4-phosphanyl-1,3-oxazolidin-2-one
PubChem CID71228944
Molecular FormulaC14H17FNO4P
Molecular Weight313.26 g/mol
Exact Mass313.09
IUPAC Name(4S)-3-[(5S)-5-(4-fluorophenyl)-5-hydroxypentanoyl]-4-phosphanyl-1,3-oxazolidin-2-one
SMILESO=C(CCC[C@H](O)c1ccc(F)cc1)N1C(=O)OC[C@@H]1P
InChIInChI=1S/C14H17FNO4P/c15-10-6-4-9(5-7-10)11(17)2-1-3-12(18)16-13(21)8-20-14(16)19/h4-7,11,13,17H,1-3,8,21H2/t11-,13-/m0/s1
InChIKeyGVNMPIBRSXIYGV-AAEUAGOBSA-N
XLogP2.21
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.26
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4S)-3-[(5S)-5-(4-fluorophenyl)-5-hydroxypentanoyl]-4-phosphanyl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-[(5S)-5-(4-fluorophenyl)-5-hydroxypentanoyl]-4-phosphanyl-1,3-oxazolidin-2-one (CID 71228944) is (4S)-3-[(5S)-5-(4-fluorophenyl)-5-hydroxypentanoyl]-4-phosphanyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-[(5S)-5-(4-fluorophenyl)-5-hydroxypentanoyl]-4-phosphanyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-[(5S)-5-(4-fluorophenyl)-5-hydroxypentanoyl]-4-phosphanyl-1,3-oxazolidin-2-one is O=C(CCC[C@H](O)c1ccc(F)cc1)N1C(=O)OC[C@@H]1P.
What is the InChIKey of (4S)-3-[(5S)-5-(4-fluorophenyl)-5-hydroxypentanoyl]-4-phosphanyl-1,3-oxazolidin-2-one?
The InChIKey is GVNMPIBRSXIYGV-AAEUAGOBSA-N. The full InChI is InChI=1S/C14H17FNO4P/c15-10-6-4-9(5-7-10)11(17)2-1-3-12(18)16-13(21)8-20-14(16)19/h4-7,11,13,17H,1-3,8,21H2/t11-,13-/m0/s1.
What are the key properties of (4S)-3-[(5S)-5-(4-fluorophenyl)-5-hydroxypentanoyl]-4-phosphanyl-1,3-oxazolidin-2-one?
(4S)-3-[(5S)-5-(4-fluorophenyl)-5-hydroxypentanoyl]-4-phosphanyl-1,3-oxazolidin-2-one has a molecular weight of 313.26 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[(5S)-5-(4-fluorophenyl)-5-hydroxypentanoyl]-4-phosphanyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 71228944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).