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

C15H17FNO4P — CID 91274522

IUPAC3-[5-(4-fluorophenyl)-5-hydroxypentanoyl]-4-methylidenephosphanyl-1,3-oxazolidin-2-one
SMILESC=PC1COC(=O)N1C(=O)CCCC(O)c1ccc(F)cc1
InChIInChI=1S/C15H17FNO4P/c1-22-14-9-21-15(20)17(14)13(19)4-2-3-12(18)10-5-7-11(16)8-6-10/h5-8,12,14,18H,1-4,9H2
InChIKeyWCEXBYAFEMZVKA-UHFFFAOYSA-N
MW325.28 g/mol
LogP2.71
Rot. Bonds6

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

3-[5-(4-fluorophenyl)-5-hydroxypentanoyl]-4-methylidenephosphanyl-1,3-oxazolidin-2-one (PubChem CID 91274522) has the molecular formula C15H17FNO4P and a molecular weight of 325.28 g/mol. Its IUPAC name is 3-[5-(4-fluorophenyl)-5-hydroxypentanoyl]-4-methylidenephosphanyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[5-(4-fluorophenyl)-5-hydroxypentanoyl]-4-methylidenephosphanyl-1,3-oxazolidin-2-one
PubChem CID91274522
Molecular FormulaC15H17FNO4P
Molecular Weight325.28 g/mol
Exact Mass325.09
IUPAC Name3-[5-(4-fluorophenyl)-5-hydroxypentanoyl]-4-methylidenephosphanyl-1,3-oxazolidin-2-one
SMILESC=PC1COC(=O)N1C(=O)CCCC(O)c1ccc(F)cc1
InChIInChI=1S/C15H17FNO4P/c1-22-14-9-21-15(20)17(14)13(19)4-2-3-12(18)10-5-7-11(16)8-6-10/h5-8,12,14,18H,1-4,9H2
InChIKeyWCEXBYAFEMZVKA-UHFFFAOYSA-N
XLogP2.71
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.28
LogP ≤ 52.71
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 3-[5-(4-fluorophenyl)-5-hydroxypentanoyl]-4-methylidenephosphanyl-1,3-oxazolidin-2-one?
The IUPAC name of 3-[5-(4-fluorophenyl)-5-hydroxypentanoyl]-4-methylidenephosphanyl-1,3-oxazolidin-2-one (CID 91274522) is 3-[5-(4-fluorophenyl)-5-hydroxypentanoyl]-4-methylidenephosphanyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[5-(4-fluorophenyl)-5-hydroxypentanoyl]-4-methylidenephosphanyl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[5-(4-fluorophenyl)-5-hydroxypentanoyl]-4-methylidenephosphanyl-1,3-oxazolidin-2-one is C=PC1COC(=O)N1C(=O)CCCC(O)c1ccc(F)cc1.
What is the InChIKey of 3-[5-(4-fluorophenyl)-5-hydroxypentanoyl]-4-methylidenephosphanyl-1,3-oxazolidin-2-one?
The InChIKey is WCEXBYAFEMZVKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FNO4P/c1-22-14-9-21-15(20)17(14)13(19)4-2-3-12(18)10-5-7-11(16)8-6-10/h5-8,12,14,18H,1-4,9H2.
What are the key properties of 3-[5-(4-fluorophenyl)-5-hydroxypentanoyl]-4-methylidenephosphanyl-1,3-oxazolidin-2-one?
3-[5-(4-fluorophenyl)-5-hydroxypentanoyl]-4-methylidenephosphanyl-1,3-oxazolidin-2-one has a molecular weight of 325.28 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-fluorophenyl)-5-hydroxypentanoyl]-4-methylidenephosphanyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 91274522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).