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

C38H33N2O2P — CID 59919108

IUPACbis[[(4R,5S)-4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-phenylphosphane
SMILESc1ccc([C@H]2N=C(CP(CC3=N[C@H](c4ccccc4)[C@H](c4ccccc4)O3)c3ccccc3)O[C@H]2c2ccccc2)cc1
InChIInChI=1S/C38H33N2O2P/c1-6-16-28(17-7-1)35-37(30-20-10-3-11-21-30)41-33(39-35)26-43(32-24-14-5-15-25-32)27-34-40-36(29-18-8-2-9-19-29)38(42-34)31-22-12-4-13-23-31/h1-25,35-38H,26-27H2/t35-,36-,37+,38+/m1/s1
InChIKeyOZZVGDVTAUMRIM-RNATXAOGSA-N
MW580.67 g/mol
LogP8.62
Rot. Bonds9

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

bis[[(4R,5S)-4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-phenylphosphane (PubChem CID 59919108) has the molecular formula C38H33N2O2P and a molecular weight of 580.67 g/mol. Its IUPAC name is bis[[(4R,5S)-4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-phenylphosphane.

Molecular Properties

Compound Namebis[[(4R,5S)-4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-phenylphosphane
PubChem CID59919108
Molecular FormulaC38H33N2O2P
Molecular Weight580.67 g/mol
Exact Mass580.23
IUPAC Namebis[[(4R,5S)-4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-phenylphosphane
SMILESc1ccc([C@H]2N=C(CP(CC3=N[C@H](c4ccccc4)[C@H](c4ccccc4)O3)c3ccccc3)O[C@H]2c2ccccc2)cc1
InChIInChI=1S/C38H33N2O2P/c1-6-16-28(17-7-1)35-37(30-20-10-3-11-21-30)41-33(39-35)26-43(32-24-14-5-15-25-32)27-34-40-36(29-18-8-2-9-19-29)38(42-34)31-22-12-4-13-23-31/h1-25,35-38H,26-27H2/t35-,36-,37+,38+/m1/s1
InChIKeyOZZVGDVTAUMRIM-RNATXAOGSA-N
XLogP8.62
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500580.67
LogP ≤ 58.62
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 bis[[(4R,5S)-4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-phenylphosphane?
The IUPAC name of bis[[(4R,5S)-4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-phenylphosphane (CID 59919108) is bis[[(4R,5S)-4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-phenylphosphane.
What is the SMILES notation for bis[[(4R,5S)-4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-phenylphosphane?
The canonical SMILES for bis[[(4R,5S)-4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-phenylphosphane is c1ccc([C@H]2N=C(CP(CC3=N[C@H](c4ccccc4)[C@H](c4ccccc4)O3)c3ccccc3)O[C@H]2c2ccccc2)cc1.
What is the InChIKey of bis[[(4R,5S)-4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-phenylphosphane?
The InChIKey is OZZVGDVTAUMRIM-RNATXAOGSA-N. The full InChI is InChI=1S/C38H33N2O2P/c1-6-16-28(17-7-1)35-37(30-20-10-3-11-21-30)41-33(39-35)26-43(32-24-14-5-15-25-32)27-34-40-36(29-18-8-2-9-19-29)38(42-34)31-22-12-4-13-23-31/h1-25,35-38H,26-27H2/t35-,36-,37+,38+/m1/s1.
What are the key properties of bis[[(4R,5S)-4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-phenylphosphane?
bis[[(4R,5S)-4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-phenylphosphane has a molecular weight of 580.67 g/mol, XLogP of 8.62, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis[[(4R,5S)-4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-phenylphosphane is sourced from PubChem (CID 59919108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).