3-[(3S)-3-bis(4-fluorophenyl)phosphoryl-3-phenylpropanoyl]-1,3-oxazolidin-2-one

C24H20F2NO4P — CID 139256773

IUPAC3-[(3S)-3-bis(4-fluorophenyl)phosphoryl-3-phenylpropanoyl]-1,3-oxazolidin-2-one
SMILESO=C(C[C@@H](c1ccccc1)P(=O)(c1ccc(F)cc1)c1ccc(F)cc1)N1CCOC1=O
InChIInChI=1S/C24H20F2NO4P/c25-18-6-10-20(11-7-18)32(30,21-12-8-19(26)9-13-21)22(17-4-2-1-3-5-17)16-23(28)27-14-15-31-24(27)29/h1-13,22H,14-16H2/t22-/m0/s1
InChIKeyDOAXLJGCJUINKJ-QFIPXVFZSA-N
MW455.40 g/mol
LogP4.39
Rot. Bonds6

About 3-[(3S)-3-bis(4-fluorophenyl)phosphoryl-3-phenylpropanoyl]-1,3-oxazolidin-2-one

3-[(3S)-3-bis(4-fluorophenyl)phosphoryl-3-phenylpropanoyl]-1,3-oxazolidin-2-one (PubChem CID 139256773) has the molecular formula C24H20F2NO4P and a molecular weight of 455.40 g/mol. Its IUPAC name is 3-[(3S)-3-bis(4-fluorophenyl)phosphoryl-3-phenylpropanoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[(3S)-3-bis(4-fluorophenyl)phosphoryl-3-phenylpropanoyl]-1,3-oxazolidin-2-one
PubChem CID139256773
Molecular FormulaC24H20F2NO4P
Molecular Weight455.40 g/mol
Exact Mass455.11
IUPAC Name3-[(3S)-3-bis(4-fluorophenyl)phosphoryl-3-phenylpropanoyl]-1,3-oxazolidin-2-one
SMILESO=C(C[C@@H](c1ccccc1)P(=O)(c1ccc(F)cc1)c1ccc(F)cc1)N1CCOC1=O
InChIInChI=1S/C24H20F2NO4P/c25-18-6-10-20(11-7-18)32(30,21-12-8-19(26)9-13-21)22(17-4-2-1-3-5-17)16-23(28)27-14-15-31-24(27)29/h1-13,22H,14-16H2/t22-/m0/s1
InChIKeyDOAXLJGCJUINKJ-QFIPXVFZSA-N
XLogP4.39
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.40
LogP ≤ 54.39
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
R62Tjm8EK3
CID 10915654
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-[2-(4-Fluorophenyl)-3-phenylpropanoyl]-1,3-oxazolidin-2-one
CID 166438673
(4R)-3-[3-(3,4-difluorophenyl)propanoyl]-4-(phenylmethyl)-1,3-oxazolidin-2-one
CID 58388236
(S)-4-benzyl-3-(3-(3,5-difluorophenyl)propanoyl)oxazolidin-2-one
CID 59733915
4-Benzyl-3-[3-(3,5-difluorophenyl)propanoyl]-1,3-oxazolidin-2-one
CID 67271862
4-Benzyl-3-[3-(3,4-difluorophenyl)propanoyl]-1,3-oxazolidin-2-one
CID 69114165
(4R)-3-[3-(3,4-difluorophenyl)propanoyl]-4-fluoro-1,3-oxazolidin-2-one
CID 70897512

Frequently Asked Questions

What is the IUPAC name of 3-[(3S)-3-bis(4-fluorophenyl)phosphoryl-3-phenylpropanoyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[(3S)-3-bis(4-fluorophenyl)phosphoryl-3-phenylpropanoyl]-1,3-oxazolidin-2-one (CID 139256773) is 3-[(3S)-3-bis(4-fluorophenyl)phosphoryl-3-phenylpropanoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[(3S)-3-bis(4-fluorophenyl)phosphoryl-3-phenylpropanoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[(3S)-3-bis(4-fluorophenyl)phosphoryl-3-phenylpropanoyl]-1,3-oxazolidin-2-one is O=C(C[C@@H](c1ccccc1)P(=O)(c1ccc(F)cc1)c1ccc(F)cc1)N1CCOC1=O.
What is the InChIKey of 3-[(3S)-3-bis(4-fluorophenyl)phosphoryl-3-phenylpropanoyl]-1,3-oxazolidin-2-one?
The InChIKey is DOAXLJGCJUINKJ-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H20F2NO4P/c25-18-6-10-20(11-7-18)32(30,21-12-8-19(26)9-13-21)22(17-4-2-1-3-5-17)16-23(28)27-14-15-31-24(27)29/h1-13,22H,14-16H2/t22-/m0/s1.
What are the key properties of 3-[(3S)-3-bis(4-fluorophenyl)phosphoryl-3-phenylpropanoyl]-1,3-oxazolidin-2-one?
3-[(3S)-3-bis(4-fluorophenyl)phosphoryl-3-phenylpropanoyl]-1,3-oxazolidin-2-one has a molecular weight of 455.40 g/mol, XLogP of 4.39, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S)-3-bis(4-fluorophenyl)phosphoryl-3-phenylpropanoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 139256773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).