3-[(3S)-3-diphenylphosphoryl-3-(2-fluorophenyl)propanoyl]-1,3-oxazolidin-2-one

C24H21FNO4P — CID 139256763

IUPAC3-[(3S)-3-diphenylphosphoryl-3-(2-fluorophenyl)propanoyl]-1,3-oxazolidin-2-one
SMILESO=C(C[C@@H](c1ccccc1F)P(=O)(c1ccccc1)c1ccccc1)N1CCOC1=O
InChIInChI=1S/C24H21FNO4P/c25-21-14-8-7-13-20(21)22(17-23(27)26-15-16-30-24(26)28)31(29,18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-14,22H,15-17H2/t22-/m0/s1
InChIKeyMISJMBIHHKXUFF-QFIPXVFZSA-N
MW437.41 g/mol
LogP4.25
Rot. Bonds6

About 3-[(3S)-3-diphenylphosphoryl-3-(2-fluorophenyl)propanoyl]-1,3-oxazolidin-2-one

3-[(3S)-3-diphenylphosphoryl-3-(2-fluorophenyl)propanoyl]-1,3-oxazolidin-2-one (PubChem CID 139256763) has the molecular formula C24H21FNO4P and a molecular weight of 437.41 g/mol. Its IUPAC name is 3-[(3S)-3-diphenylphosphoryl-3-(2-fluorophenyl)propanoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[(3S)-3-diphenylphosphoryl-3-(2-fluorophenyl)propanoyl]-1,3-oxazolidin-2-one
PubChem CID139256763
Molecular FormulaC24H21FNO4P
Molecular Weight437.41 g/mol
Exact Mass437.12
IUPAC Name3-[(3S)-3-diphenylphosphoryl-3-(2-fluorophenyl)propanoyl]-1,3-oxazolidin-2-one
SMILESO=C(C[C@@H](c1ccccc1F)P(=O)(c1ccccc1)c1ccccc1)N1CCOC1=O
InChIInChI=1S/C24H21FNO4P/c25-21-14-8-7-13-20(21)22(17-23(27)26-15-16-30-24(26)28)31(29,18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-14,22H,15-17H2/t22-/m0/s1
InChIKeyMISJMBIHHKXUFF-QFIPXVFZSA-N
XLogP4.25
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.41
LogP ≤ 54.25
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-[5-(4-Fluorophenyl)pentanoyl]-1,3-oxazolidin-2-one
CID 71098231
3-[6-(3-Fluorophenyl)hexanoyl]-1,3-oxazolidin-2-one
CID 132141210
3-(3-Fluoro-3-phenylpropanoyl)-1,3-oxazolidin-2-one
CID 72723302
3-[(3S)-3-diphenylphosphoryl-3-(4-fluorophenyl)propanoyl]-1,3-oxazolidin-2-one
CID 139256762
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-[2-(4-Fluorophenyl)-3-phenylpropanoyl]-1,3-oxazolidin-2-one
CID 166438673
3-[(E)-2-(4-fluorophenyl)-3-phenylprop-2-enoyl]-1,3-oxazolidin-2-one
CID 166439801
(4S)-4-benzyl-3-[4-[4-(4-fluorophenyl)phenyl]butanoyl]-1,3-oxazolidin-2-one
CID 10526012
(4R)-3-[3-(3,4-difluorophenyl)propanoyl]-4-fluoro-1,3-oxazolidin-2-one
CID 70897512
4-Fluoro-3-(5-phenylpentanoyl)-1,3-oxazolidin-2-one
CID 145760680
3-[(3R)-3-(3-fluorophenyl)-3-(4-fluorophenyl)propanoyl]-1,3-oxazolidin-2-one
CID 154927144

Frequently Asked Questions

What is the IUPAC name of 3-[(3S)-3-diphenylphosphoryl-3-(2-fluorophenyl)propanoyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[(3S)-3-diphenylphosphoryl-3-(2-fluorophenyl)propanoyl]-1,3-oxazolidin-2-one (CID 139256763) is 3-[(3S)-3-diphenylphosphoryl-3-(2-fluorophenyl)propanoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[(3S)-3-diphenylphosphoryl-3-(2-fluorophenyl)propanoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[(3S)-3-diphenylphosphoryl-3-(2-fluorophenyl)propanoyl]-1,3-oxazolidin-2-one is O=C(C[C@@H](c1ccccc1F)P(=O)(c1ccccc1)c1ccccc1)N1CCOC1=O.
What is the InChIKey of 3-[(3S)-3-diphenylphosphoryl-3-(2-fluorophenyl)propanoyl]-1,3-oxazolidin-2-one?
The InChIKey is MISJMBIHHKXUFF-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H21FNO4P/c25-21-14-8-7-13-20(21)22(17-23(27)26-15-16-30-24(26)28)31(29,18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-14,22H,15-17H2/t22-/m0/s1.
What are the key properties of 3-[(3S)-3-diphenylphosphoryl-3-(2-fluorophenyl)propanoyl]-1,3-oxazolidin-2-one?
3-[(3S)-3-diphenylphosphoryl-3-(2-fluorophenyl)propanoyl]-1,3-oxazolidin-2-one has a molecular weight of 437.41 g/mol, XLogP of 4.25, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S)-3-diphenylphosphoryl-3-(2-fluorophenyl)propanoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 139256763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).