diphenyl-[2-[[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]phenyl]phosphane

C28H24NOP — CID 135006716

IUPACdiphenyl-[2-[[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]phenyl]phosphane
SMILESc1ccc([C@H]2COC(Cc3ccccc3P(c3ccccc3)c3ccccc3)=N2)cc1
InChIInChI=1S/C28H24NOP/c1-4-12-22(13-5-1)26-21-30-28(29-26)20-23-14-10-11-19-27(23)31(24-15-6-2-7-16-24)25-17-8-3-9-18-25/h1-19,26H,20-21H2/t26-/m1/s1
InChIKeyGWUCHOLRNDOALU-AREMUKBSSA-N
MW421.48 g/mol
LogP5.16
Rot. Bonds6

About diphenyl-[2-[[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]phenyl]phosphane

diphenyl-[2-[[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]phenyl]phosphane (PubChem CID 135006716) has the molecular formula C28H24NOP and a molecular weight of 421.48 g/mol. Its IUPAC name is diphenyl-[2-[[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]phenyl]phosphane.

Molecular Properties

Compound Namediphenyl-[2-[[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]phenyl]phosphane
PubChem CID135006716
Molecular FormulaC28H24NOP
Molecular Weight421.48 g/mol
Exact Mass421.16
IUPAC Namediphenyl-[2-[[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]phenyl]phosphane
SMILESc1ccc([C@H]2COC(Cc3ccccc3P(c3ccccc3)c3ccccc3)=N2)cc1
InChIInChI=1S/C28H24NOP/c1-4-12-22(13-5-1)26-21-30-28(29-26)20-23-14-10-11-19-27(23)31(24-15-6-2-7-16-24)25-17-8-3-9-18-25/h1-19,26H,20-21H2/t26-/m1/s1
InChIKeyGWUCHOLRNDOALU-AREMUKBSSA-N
XLogP5.16
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.48
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of diphenyl-[2-[[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]phenyl]phosphane?
The IUPAC name of diphenyl-[2-[[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]phenyl]phosphane (CID 135006716) is diphenyl-[2-[[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]phenyl]phosphane.
What is the SMILES notation for diphenyl-[2-[[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]phenyl]phosphane?
The canonical SMILES for diphenyl-[2-[[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]phenyl]phosphane is c1ccc([C@H]2COC(Cc3ccccc3P(c3ccccc3)c3ccccc3)=N2)cc1.
What is the InChIKey of diphenyl-[2-[[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]phenyl]phosphane?
The InChIKey is GWUCHOLRNDOALU-AREMUKBSSA-N. The full InChI is InChI=1S/C28H24NOP/c1-4-12-22(13-5-1)26-21-30-28(29-26)20-23-14-10-11-19-27(23)31(24-15-6-2-7-16-24)25-17-8-3-9-18-25/h1-19,26H,20-21H2/t26-/m1/s1.
What are the key properties of diphenyl-[2-[[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]phenyl]phosphane?
diphenyl-[2-[[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]phenyl]phosphane has a molecular weight of 421.48 g/mol, XLogP of 5.16, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyl-[2-[[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]phenyl]phosphane is sourced from PubChem (CID 135006716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).