3-[(3R)-3-diphenylphosphorylnonanoyl]-1,3-oxazolidin-2-one

C24H30NO4P — CID 139256771

IUPAC3-[(3R)-3-diphenylphosphorylnonanoyl]-1,3-oxazolidin-2-one
SMILESCCCCCC[C@H](CC(=O)N1CCOC1=O)P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H30NO4P/c1-2-3-4-7-16-22(19-23(26)25-17-18-29-24(25)27)30(28,20-12-8-5-9-13-20)21-14-10-6-11-15-21/h5-6,8-15,22H,2-4,7,16-19H2,1H3/t22-/m1/s1
InChIKeyHCXPSZAUDXETQF-JOCHJYFZSA-N
MW427.48 g/mol
LogP4.71
Rot. Bonds10

About 3-[(3R)-3-diphenylphosphorylnonanoyl]-1,3-oxazolidin-2-one

3-[(3R)-3-diphenylphosphorylnonanoyl]-1,3-oxazolidin-2-one (PubChem CID 139256771) has the molecular formula C24H30NO4P and a molecular weight of 427.48 g/mol. Its IUPAC name is 3-[(3R)-3-diphenylphosphorylnonanoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[(3R)-3-diphenylphosphorylnonanoyl]-1,3-oxazolidin-2-one
PubChem CID139256771
Molecular FormulaC24H30NO4P
Molecular Weight427.48 g/mol
Exact Mass427.19
IUPAC Name3-[(3R)-3-diphenylphosphorylnonanoyl]-1,3-oxazolidin-2-one
SMILESCCCCCC[C@H](CC(=O)N1CCOC1=O)P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H30NO4P/c1-2-3-4-7-16-22(19-23(26)25-17-18-29-24(25)27)30(28,20-12-8-5-9-13-20)21-14-10-6-11-15-21/h5-6,8-15,22H,2-4,7,16-19H2,1H3/t22-/m1/s1
InChIKeyHCXPSZAUDXETQF-JOCHJYFZSA-N
XLogP4.71
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.48
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(3S)-3-diphenylphosphoryl-3-(4-fluorophenyl)propanoyl]-1,3-oxazolidin-2-one
CID 139256762
3-[(3S)-3-diphenylphosphoryl-3-(2-fluorophenyl)propanoyl]-1,3-oxazolidin-2-one
CID 139256763
3-[(3S)-3-diphenylphosphoryl-3-[4-(trifluoromethyl)phenyl]propanoyl]-1,3-oxazolidin-2-one
CID 139256765
3-[(3S)-3-bis(4-fluorophenyl)phosphoryl-3-phenylpropanoyl]-1,3-oxazolidin-2-one
CID 139256773
3-[(3S)-3-diphenylphosphoryl-3-phenylpropanoyl]-1,3-oxazolidin-2-one
CID 101583125
3-[(3S)-3-diphenylphosphoryl-3-(4-methylphenyl)propanoyl]-1,3-oxazolidin-2-one
CID 101583126
3-(3-Diphenylphosphoryl-3-phenylpropanoyl)-1,3-oxazolidin-2-one
CID 102287464
3-(2-Diphenylphosphorylbutanoyl)-1,3-oxazolidin-2-one
CID 134944343
3-[(3R)-3-diphenylphosphorylbutanoyl]-1,3-oxazolidin-2-one
CID 139256768
3-[(3S)-3-diphenylphosphoryl-4-methylpentanoyl]-1,3-oxazolidin-2-one
CID 139256769
3-[(3R)-3-diphenylphosphoryl-5-methylhexanoyl]-1,3-oxazolidin-2-one
CID 139256770
3-[3-[Dimethyl(phenyl)stannyl]-3-phenylpropanoyl]-1,3-oxazolidin-2-one
CID 164687058

Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-3-diphenylphosphorylnonanoyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[(3R)-3-diphenylphosphorylnonanoyl]-1,3-oxazolidin-2-one (CID 139256771) is 3-[(3R)-3-diphenylphosphorylnonanoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[(3R)-3-diphenylphosphorylnonanoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[(3R)-3-diphenylphosphorylnonanoyl]-1,3-oxazolidin-2-one is CCCCCC[C@H](CC(=O)N1CCOC1=O)P(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-[(3R)-3-diphenylphosphorylnonanoyl]-1,3-oxazolidin-2-one?
The InChIKey is HCXPSZAUDXETQF-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H30NO4P/c1-2-3-4-7-16-22(19-23(26)25-17-18-29-24(25)27)30(28,20-12-8-5-9-13-20)21-14-10-6-11-15-21/h5-6,8-15,22H,2-4,7,16-19H2,1H3/t22-/m1/s1.
What are the key properties of 3-[(3R)-3-diphenylphosphorylnonanoyl]-1,3-oxazolidin-2-one?
3-[(3R)-3-diphenylphosphorylnonanoyl]-1,3-oxazolidin-2-one has a molecular weight of 427.48 g/mol, XLogP of 4.71, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-3-diphenylphosphorylnonanoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 139256771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).