[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]methyl-[[(4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-phenylphosphane

C16H21N2O2P — CID 59919086

IUPAC[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]methyl-[[(4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-phenylphosphane
SMILESC[C@@H]1COC(CP(CC2=N[C@@H](C)CO2)c2ccccc2)=N1
InChIInChI=1S/C16H21N2O2P/c1-12-8-19-15(17-12)10-21(14-6-4-3-5-7-14)11-16-18-13(2)9-20-16/h3-7,12-13H,8-11H2,1-2H3/t12-,13+,21?
InChIKeyRTVHMBAULPXDAB-YPHPFWRLSA-N
MW304.33 g/mol
LogP2.43
Rot. Bonds5

About [(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]methyl-[[(4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-phenylphosphane

[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]methyl-[[(4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-phenylphosphane (PubChem CID 59919086) has the molecular formula C16H21N2O2P and a molecular weight of 304.33 g/mol. Its IUPAC name is [(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]methyl-[[(4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-phenylphosphane.

Molecular Properties

Compound Name[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]methyl-[[(4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-phenylphosphane
PubChem CID59919086
Molecular FormulaC16H21N2O2P
Molecular Weight304.33 g/mol
Exact Mass304.13
IUPAC Name[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]methyl-[[(4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-phenylphosphane
SMILESC[C@@H]1COC(CP(CC2=N[C@@H](C)CO2)c2ccccc2)=N1
InChIInChI=1S/C16H21N2O2P/c1-12-8-19-15(17-12)10-21(14-6-4-3-5-7-14)11-16-18-13(2)9-20-16/h3-7,12-13H,8-11H2,1-2H3/t12-,13+,21?
InChIKeyRTVHMBAULPXDAB-YPHPFWRLSA-N
XLogP2.43
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.33
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]methyl-[[(4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-phenylphosphane?
The IUPAC name of [(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]methyl-[[(4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-phenylphosphane (CID 59919086) is [(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]methyl-[[(4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-phenylphosphane.
What is the SMILES notation for [(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]methyl-[[(4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-phenylphosphane?
The canonical SMILES for [(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]methyl-[[(4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-phenylphosphane is C[C@@H]1COC(CP(CC2=N[C@@H](C)CO2)c2ccccc2)=N1.
What is the InChIKey of [(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]methyl-[[(4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-phenylphosphane?
The InChIKey is RTVHMBAULPXDAB-YPHPFWRLSA-N. The full InChI is InChI=1S/C16H21N2O2P/c1-12-8-19-15(17-12)10-21(14-6-4-3-5-7-14)11-16-18-13(2)9-20-16/h3-7,12-13H,8-11H2,1-2H3/t12-,13+,21?.
What are the key properties of [(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]methyl-[[(4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-phenylphosphane?
[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]methyl-[[(4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-phenylphosphane has a molecular weight of 304.33 g/mol, XLogP of 2.43, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]methyl-[[(4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-phenylphosphane is sourced from PubChem (CID 59919086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).