3-[(3S)-3-diphenylphosphoryl-4-methylpentanoyl]-1,3-oxazolidin-2-one

C21H24NO4P — CID 139256769

IUPAC3-[(3S)-3-diphenylphosphoryl-4-methylpentanoyl]-1,3-oxazolidin-2-one
SMILESCC(C)[C@H](CC(=O)N1CCOC1=O)P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H24NO4P/c1-16(2)19(15-20(23)22-13-14-26-21(22)24)27(25,17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,16,19H,13-15H2,1-2H3/t19-/m0/s1
InChIKeyZHDCWHCUFPYRFH-IBGZPJMESA-N
MW385.40 g/mol
LogP3.39
Rot. Bonds6

About 3-[(3S)-3-diphenylphosphoryl-4-methylpentanoyl]-1,3-oxazolidin-2-one

3-[(3S)-3-diphenylphosphoryl-4-methylpentanoyl]-1,3-oxazolidin-2-one (PubChem CID 139256769) has the molecular formula C21H24NO4P and a molecular weight of 385.40 g/mol. Its IUPAC name is 3-[(3S)-3-diphenylphosphoryl-4-methylpentanoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[(3S)-3-diphenylphosphoryl-4-methylpentanoyl]-1,3-oxazolidin-2-one
PubChem CID139256769
Molecular FormulaC21H24NO4P
Molecular Weight385.40 g/mol
Exact Mass385.14
IUPAC Name3-[(3S)-3-diphenylphosphoryl-4-methylpentanoyl]-1,3-oxazolidin-2-one
SMILESCC(C)[C@H](CC(=O)N1CCOC1=O)P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H24NO4P/c1-16(2)19(15-20(23)22-13-14-26-21(22)24)27(25,17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,16,19H,13-15H2,1-2H3/t19-/m0/s1
InChIKeyZHDCWHCUFPYRFH-IBGZPJMESA-N
XLogP3.39
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.40
LogP ≤ 53.39
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-[(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-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-[(3R)-3-diphenylphosphoryl-5-methylhexanoyl]-1,3-oxazolidin-2-one
CID 139256770
3-[(3R)-3-diphenylphosphorylnonanoyl]-1,3-oxazolidin-2-one
CID 139256771
3-[3-[Dimethyl(phenyl)stannyl]-3-phenylpropanoyl]-1,3-oxazolidin-2-one
CID 164687058
3-[(2R,3S)-3-[dimethyl(phenyl)silyl]-2,4-dimethylpentanoyl]-1,3-oxazolidin-2-one
CID 10019755

Frequently Asked Questions

What is the IUPAC name of 3-[(3S)-3-diphenylphosphoryl-4-methylpentanoyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[(3S)-3-diphenylphosphoryl-4-methylpentanoyl]-1,3-oxazolidin-2-one (CID 139256769) is 3-[(3S)-3-diphenylphosphoryl-4-methylpentanoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[(3S)-3-diphenylphosphoryl-4-methylpentanoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[(3S)-3-diphenylphosphoryl-4-methylpentanoyl]-1,3-oxazolidin-2-one is CC(C)[C@H](CC(=O)N1CCOC1=O)P(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-[(3S)-3-diphenylphosphoryl-4-methylpentanoyl]-1,3-oxazolidin-2-one?
The InChIKey is ZHDCWHCUFPYRFH-IBGZPJMESA-N. The full InChI is InChI=1S/C21H24NO4P/c1-16(2)19(15-20(23)22-13-14-26-21(22)24)27(25,17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,16,19H,13-15H2,1-2H3/t19-/m0/s1.
What are the key properties of 3-[(3S)-3-diphenylphosphoryl-4-methylpentanoyl]-1,3-oxazolidin-2-one?
3-[(3S)-3-diphenylphosphoryl-4-methylpentanoyl]-1,3-oxazolidin-2-one has a molecular weight of 385.40 g/mol, XLogP of 3.39, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S)-3-diphenylphosphoryl-4-methylpentanoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 139256769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).