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

C31H30NO2P — CID 20596632

IUPAC[2-(2-methyl-4,5-dihydro-1,3-oxazol-4-yl)-1,3-diphenylpropan-2-yl]oxy-diphenylphosphane
SMILESCC1=NC(C(Cc2ccccc2)(Cc2ccccc2)OP(c2ccccc2)c2ccccc2)CO1
InChIInChI=1S/C31H30NO2P/c1-25-32-30(24-33-25)31(22-26-14-6-2-7-15-26,23-27-16-8-3-9-17-27)34-35(28-18-10-4-11-19-28)29-20-12-5-13-21-29/h2-21,30H,22-24H2,1H3
InChIKeyLDPOMDFRFKEOPT-UHFFFAOYSA-N
MW479.56 g/mol
LogP6.09
Rot. Bonds9

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

[2-(2-methyl-4,5-dihydro-1,3-oxazol-4-yl)-1,3-diphenylpropan-2-yl]oxy-diphenylphosphane (PubChem CID 20596632) has the molecular formula C31H30NO2P and a molecular weight of 479.56 g/mol. Its IUPAC name is [2-(2-methyl-4,5-dihydro-1,3-oxazol-4-yl)-1,3-diphenylpropan-2-yl]oxy-diphenylphosphane.

Molecular Properties

Compound Name[2-(2-methyl-4,5-dihydro-1,3-oxazol-4-yl)-1,3-diphenylpropan-2-yl]oxy-diphenylphosphane
PubChem CID20596632
Molecular FormulaC31H30NO2P
Molecular Weight479.56 g/mol
Exact Mass479.20
IUPAC Name[2-(2-methyl-4,5-dihydro-1,3-oxazol-4-yl)-1,3-diphenylpropan-2-yl]oxy-diphenylphosphane
SMILESCC1=NC(C(Cc2ccccc2)(Cc2ccccc2)OP(c2ccccc2)c2ccccc2)CO1
InChIInChI=1S/C31H30NO2P/c1-25-32-30(24-33-25)31(22-26-14-6-2-7-15-26,23-27-16-8-3-9-17-27)34-35(28-18-10-4-11-19-28)29-20-12-5-13-21-29/h2-21,30H,22-24H2,1H3
InChIKeyLDPOMDFRFKEOPT-UHFFFAOYSA-N
XLogP6.09
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.56
LogP ≤ 56.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-tert-butyl-2-[2-(4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)-1,3-diphenylpropan-2-yl]-4,5-dihydro-1,3-oxazole
CID 154730338
2-[(4S)-2-tert-butyl-4,5-dihydro-1,3-oxazol-4-yl]-1,3-diphenylpropan-2-ol
CID 59101168
2-(2-ethyl-4,5-dihydro-1,3-oxazol-4-yl)-1,3-diphenylpropan-2-ol
CID 20596642
benzyl 2-methyl-4,5-dihydro-1,3-oxazole-4-carboxylate;methane
CID 157346143
2-[1,3-diphenyl-2-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)propan-2-yl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole
CID 72772752
diphenyl(1-phenylpropan-2-yloxy)phosphane
CID 86075511
2-[(4R)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl-diphenylphosphane
CID 170897725
2-[2-(3,5-ditert-butylphenyl)-4,5-dihydro-1,3-oxazol-4-yl]-1,3-diphenylpropan-2-ol
CID 22987247
2-methyl-4-naphthalen-1-yl-4,5-dihydro-1,3-oxazole
CID 135228169
2-(2-methyl-1-phenylpropan-2-yl)-1,3-dioxane
CID 11971167
[2-[(4R)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-[2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-phenylphosphane
CID 176507761
[5-[tert-butyl(diphenyl)silyl]oxy-2-methylpentan-2-yl]oxy-diphenylphosphane
CID 11953688

Frequently Asked Questions

What is the IUPAC name of [2-(2-methyl-4,5-dihydro-1,3-oxazol-4-yl)-1,3-diphenylpropan-2-yl]oxy-diphenylphosphane?
The IUPAC name of [2-(2-methyl-4,5-dihydro-1,3-oxazol-4-yl)-1,3-diphenylpropan-2-yl]oxy-diphenylphosphane (CID 20596632) is [2-(2-methyl-4,5-dihydro-1,3-oxazol-4-yl)-1,3-diphenylpropan-2-yl]oxy-diphenylphosphane.
What is the SMILES notation for [2-(2-methyl-4,5-dihydro-1,3-oxazol-4-yl)-1,3-diphenylpropan-2-yl]oxy-diphenylphosphane?
The canonical SMILES for [2-(2-methyl-4,5-dihydro-1,3-oxazol-4-yl)-1,3-diphenylpropan-2-yl]oxy-diphenylphosphane is CC1=NC(C(Cc2ccccc2)(Cc2ccccc2)OP(c2ccccc2)c2ccccc2)CO1.
What is the InChIKey of [2-(2-methyl-4,5-dihydro-1,3-oxazol-4-yl)-1,3-diphenylpropan-2-yl]oxy-diphenylphosphane?
The InChIKey is LDPOMDFRFKEOPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30NO2P/c1-25-32-30(24-33-25)31(22-26-14-6-2-7-15-26,23-27-16-8-3-9-17-27)34-35(28-18-10-4-11-19-28)29-20-12-5-13-21-29/h2-21,30H,22-24H2,1H3.
What are the key properties of [2-(2-methyl-4,5-dihydro-1,3-oxazol-4-yl)-1,3-diphenylpropan-2-yl]oxy-diphenylphosphane?
[2-(2-methyl-4,5-dihydro-1,3-oxazol-4-yl)-1,3-diphenylpropan-2-yl]oxy-diphenylphosphane has a molecular weight of 479.56 g/mol, XLogP of 6.09, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methyl-4,5-dihydro-1,3-oxazol-4-yl)-1,3-diphenylpropan-2-yl]oxy-diphenylphosphane is sourced from PubChem (CID 20596632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).