3-(3-diphenylphosphoryl-3-phenylpropanoyl)-1,3-oxazolidin-2-one

C24H22NO4P — CID 102287464

IUPAC3-(3-diphenylphosphoryl-3-phenylpropanoyl)-1,3-oxazolidin-2-one
SMILESO=C(CC(c1ccccc1)P(=O)(c1ccccc1)c1ccccc1)N1CCOC1=O
InChIInChI=1S/C24H22NO4P/c26-23(25-16-17-29-24(25)27)18-22(19-10-4-1-5-11-19)30(28,20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-15,22H,16-18H2
InChIKeyBOAROBGLOOQPRW-UHFFFAOYSA-N
MW419.42 g/mol
LogP4.11
Rot. Bonds6

About 3-(3-diphenylphosphoryl-3-phenylpropanoyl)-1,3-oxazolidin-2-one

3-(3-diphenylphosphoryl-3-phenylpropanoyl)-1,3-oxazolidin-2-one (PubChem CID 102287464) has the molecular formula C24H22NO4P and a molecular weight of 419.42 g/mol. Its IUPAC name is 3-(3-diphenylphosphoryl-3-phenylpropanoyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-(3-diphenylphosphoryl-3-phenylpropanoyl)-1,3-oxazolidin-2-one
PubChem CID102287464
Molecular FormulaC24H22NO4P
Molecular Weight419.42 g/mol
Exact Mass419.13
IUPAC Name3-(3-diphenylphosphoryl-3-phenylpropanoyl)-1,3-oxazolidin-2-one
SMILESO=C(CC(c1ccccc1)P(=O)(c1ccccc1)c1ccccc1)N1CCOC1=O
InChIInChI=1S/C24H22NO4P/c26-23(25-16-17-29-24(25)27)18-22(19-10-4-1-5-11-19)30(28,20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-15,22H,16-18H2
InChIKeyBOAROBGLOOQPRW-UHFFFAOYSA-N
XLogP4.11
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.42
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(6-Phenylhexanoyl) oxazolidin-2-one
CID 101746948
3-(3-Phenylpropanoyl)oxazolidin-2-one
CID 13701771
3-[2-(3-Phenylphenyl)acetyl]-1,3-oxazolidin-2-one
CID 132141041
3-[2-(4-Phenylphenyl)acetyl]-1,3-oxazolidin-2-one
CID 132141122
3-(7-Phenylheptanoyl)-1,3-oxazolidin-2-one
CID 132141184
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
(S)-4-Benzyl-3-(3-phenylpropanoyl)oxazolidin-2-one
CID 10957844
3-(5-Phenylpentanoyl)-1,3-oxazolidin-2-one
CID 101746947
3-(8-Phenyloctanoyl)-1,3-oxazolidin-2-one
CID 132141155

Frequently Asked Questions

What is the IUPAC name of 3-(3-diphenylphosphoryl-3-phenylpropanoyl)-1,3-oxazolidin-2-one?
The IUPAC name of 3-(3-diphenylphosphoryl-3-phenylpropanoyl)-1,3-oxazolidin-2-one (CID 102287464) is 3-(3-diphenylphosphoryl-3-phenylpropanoyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-(3-diphenylphosphoryl-3-phenylpropanoyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 3-(3-diphenylphosphoryl-3-phenylpropanoyl)-1,3-oxazolidin-2-one is O=C(CC(c1ccccc1)P(=O)(c1ccccc1)c1ccccc1)N1CCOC1=O.
What is the InChIKey of 3-(3-diphenylphosphoryl-3-phenylpropanoyl)-1,3-oxazolidin-2-one?
The InChIKey is BOAROBGLOOQPRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22NO4P/c26-23(25-16-17-29-24(25)27)18-22(19-10-4-1-5-11-19)30(28,20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-15,22H,16-18H2.
What are the key properties of 3-(3-diphenylphosphoryl-3-phenylpropanoyl)-1,3-oxazolidin-2-one?
3-(3-diphenylphosphoryl-3-phenylpropanoyl)-1,3-oxazolidin-2-one has a molecular weight of 419.42 g/mol, XLogP of 4.11, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-diphenylphosphoryl-3-phenylpropanoyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 102287464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).