[2-(5-methyl-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl)-1,3-diphenylpropan-2-yl]oxy-diphenylphosphane

C37H34NO2P — CID 20596633

IUPAC[2-(5-methyl-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl)-1,3-diphenylpropan-2-yl]oxy-diphenylphosphane
SMILESCC1OC(c2ccccc2)=NC1C(Cc1ccccc1)(Cc1ccccc1)OP(c1ccccc1)c1ccccc1
InChIInChI=1S/C37H34NO2P/c1-29-35(38-36(39-29)32-21-11-4-12-22-32)37(27-30-17-7-2-8-18-30,28-31-19-9-3-10-20-31)40-41(33-23-13-5-14-24-33)34-25-15-6-16-26-34/h2-26,29,35H,27-28H2,1H3
InChIKeyWQHLVWNQNKIFPE-UHFFFAOYSA-N
MW555.66 g/mol
LogP7.51
Rot. Bonds10

About [2-(5-methyl-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl)-1,3-diphenylpropan-2-yl]oxy-diphenylphosphane

[2-(5-methyl-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl)-1,3-diphenylpropan-2-yl]oxy-diphenylphosphane (PubChem CID 20596633) has the molecular formula C37H34NO2P and a molecular weight of 555.66 g/mol. Its IUPAC name is [2-(5-methyl-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl)-1,3-diphenylpropan-2-yl]oxy-diphenylphosphane.

Molecular Properties

Compound Name[2-(5-methyl-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl)-1,3-diphenylpropan-2-yl]oxy-diphenylphosphane
PubChem CID20596633
Molecular FormulaC37H34NO2P
Molecular Weight555.66 g/mol
Exact Mass555.23
IUPAC Name[2-(5-methyl-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl)-1,3-diphenylpropan-2-yl]oxy-diphenylphosphane
SMILESCC1OC(c2ccccc2)=NC1C(Cc1ccccc1)(Cc1ccccc1)OP(c1ccccc1)c1ccccc1
InChIInChI=1S/C37H34NO2P/c1-29-35(38-36(39-29)32-21-11-4-12-22-32)37(27-30-17-7-2-8-18-30,28-31-19-9-3-10-20-31)40-41(33-23-13-5-14-24-33)34-25-15-6-16-26-34/h2-26,29,35H,27-28H2,1H3
InChIKeyWQHLVWNQNKIFPE-UHFFFAOYSA-N
XLogP7.51
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500555.66
LogP ≤ 57.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-(5-methyl-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl)-1,3-diphenylpropan-2-yl]oxy-diphenylphosphane?
The IUPAC name of [2-(5-methyl-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl)-1,3-diphenylpropan-2-yl]oxy-diphenylphosphane (CID 20596633) is [2-(5-methyl-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl)-1,3-diphenylpropan-2-yl]oxy-diphenylphosphane.
What is the SMILES notation for [2-(5-methyl-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl)-1,3-diphenylpropan-2-yl]oxy-diphenylphosphane?
The canonical SMILES for [2-(5-methyl-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl)-1,3-diphenylpropan-2-yl]oxy-diphenylphosphane is CC1OC(c2ccccc2)=NC1C(Cc1ccccc1)(Cc1ccccc1)OP(c1ccccc1)c1ccccc1.
What is the InChIKey of [2-(5-methyl-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl)-1,3-diphenylpropan-2-yl]oxy-diphenylphosphane?
The InChIKey is WQHLVWNQNKIFPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H34NO2P/c1-29-35(38-36(39-29)32-21-11-4-12-22-32)37(27-30-17-7-2-8-18-30,28-31-19-9-3-10-20-31)40-41(33-23-13-5-14-24-33)34-25-15-6-16-26-34/h2-26,29,35H,27-28H2,1H3.
What are the key properties of [2-(5-methyl-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl)-1,3-diphenylpropan-2-yl]oxy-diphenylphosphane?
[2-(5-methyl-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl)-1,3-diphenylpropan-2-yl]oxy-diphenylphosphane has a molecular weight of 555.66 g/mol, XLogP of 7.51, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-methyl-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl)-1,3-diphenylpropan-2-yl]oxy-diphenylphosphane is sourced from PubChem (CID 20596633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).