3-[(3R)-3-diphenylphosphoryl-5-methylhexanoyl]-1,3-oxazolidin-2-one

C22H26NO4P — CID 139256770

IUPAC3-[(3R)-3-diphenylphosphoryl-5-methylhexanoyl]-1,3-oxazolidin-2-one
SMILESCC(C)C[C@H](CC(=O)N1CCOC1=O)P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H26NO4P/c1-17(2)15-20(16-21(24)23-13-14-27-22(23)25)28(26,18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,17,20H,13-16H2,1-2H3/t20-/m1/s1
InChIKeyGULCMQSBRIOAPB-HXUWFJFHSA-N
MW399.43 g/mol
LogP3.78
Rot. Bonds7

About 3-[(3R)-3-diphenylphosphoryl-5-methylhexanoyl]-1,3-oxazolidin-2-one

3-[(3R)-3-diphenylphosphoryl-5-methylhexanoyl]-1,3-oxazolidin-2-one (PubChem CID 139256770) has the molecular formula C22H26NO4P and a molecular weight of 399.43 g/mol. Its IUPAC name is 3-[(3R)-3-diphenylphosphoryl-5-methylhexanoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[(3R)-3-diphenylphosphoryl-5-methylhexanoyl]-1,3-oxazolidin-2-one
PubChem CID139256770
Molecular FormulaC22H26NO4P
Molecular Weight399.43 g/mol
Exact Mass399.16
IUPAC Name3-[(3R)-3-diphenylphosphoryl-5-methylhexanoyl]-1,3-oxazolidin-2-one
SMILESCC(C)C[C@H](CC(=O)N1CCOC1=O)P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H26NO4P/c1-17(2)15-20(16-21(24)23-13-14-27-22(23)25)28(26,18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,17,20H,13-16H2,1-2H3/t20-/m1/s1
InChIKeyGULCMQSBRIOAPB-HXUWFJFHSA-N
XLogP3.78
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.43
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[(3R)-3-diphenylphosphoryl-5-methylhexanoyl]-1,3-oxazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-[(3S)-3-diphenylphosphoryl-4-methylpentanoyl]-1,3-oxazolidin-2-one
CID 139256769
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
benzene;(4R)-4-methyl-3-(4-methylheptanoyl)-1,3-oxazolidin-2-one
CID 68743418

Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-3-diphenylphosphoryl-5-methylhexanoyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[(3R)-3-diphenylphosphoryl-5-methylhexanoyl]-1,3-oxazolidin-2-one (CID 139256770) is 3-[(3R)-3-diphenylphosphoryl-5-methylhexanoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[(3R)-3-diphenylphosphoryl-5-methylhexanoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[(3R)-3-diphenylphosphoryl-5-methylhexanoyl]-1,3-oxazolidin-2-one is CC(C)C[C@H](CC(=O)N1CCOC1=O)P(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-[(3R)-3-diphenylphosphoryl-5-methylhexanoyl]-1,3-oxazolidin-2-one?
The InChIKey is GULCMQSBRIOAPB-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H26NO4P/c1-17(2)15-20(16-21(24)23-13-14-27-22(23)25)28(26,18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,17,20H,13-16H2,1-2H3/t20-/m1/s1.
What are the key properties of 3-[(3R)-3-diphenylphosphoryl-5-methylhexanoyl]-1,3-oxazolidin-2-one?
3-[(3R)-3-diphenylphosphoryl-5-methylhexanoyl]-1,3-oxazolidin-2-one has a molecular weight of 399.43 g/mol, XLogP of 3.78, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-3-diphenylphosphoryl-5-methylhexanoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 139256770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).