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

C28H25NOP2 — CID 102522056

IUPAC[4,5-dihydro-1,3-oxazol-2-yl(diphenylphosphanyl)methyl]-diphenylphosphane
SMILESc1ccc(P(c2ccccc2)C(C2=NCCO2)P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C28H25NOP2/c1-5-13-23(14-6-1)31(24-15-7-2-8-16-24)28(27-29-21-22-30-27)32(25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-20,28H,21-22H2
InChIKeyLLSHBWSLULSTFI-UHFFFAOYSA-N
MW453.46 g/mol
LogP5.01
Rot. Bonds7

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

[4,5-dihydro-1,3-oxazol-2-yl(diphenylphosphanyl)methyl]-diphenylphosphane (PubChem CID 102522056) has the molecular formula C28H25NOP2 and a molecular weight of 453.46 g/mol. Its IUPAC name is [4,5-dihydro-1,3-oxazol-2-yl(diphenylphosphanyl)methyl]-diphenylphosphane.

Molecular Properties

Compound Name[4,5-dihydro-1,3-oxazol-2-yl(diphenylphosphanyl)methyl]-diphenylphosphane
PubChem CID102522056
Molecular FormulaC28H25NOP2
Molecular Weight453.46 g/mol
Exact Mass453.14
IUPAC Name[4,5-dihydro-1,3-oxazol-2-yl(diphenylphosphanyl)methyl]-diphenylphosphane
SMILESc1ccc(P(c2ccccc2)C(C2=NCCO2)P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C28H25NOP2/c1-5-13-23(14-6-1)31(24-15-7-2-8-16-24)28(27-29-21-22-30-27)32(25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-20,28H,21-22H2
InChIKeyLLSHBWSLULSTFI-UHFFFAOYSA-N
XLogP5.01
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.46
LogP ≤ 55.01
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 [4,5-dihydro-1,3-oxazol-2-yl(diphenylphosphanyl)methyl]-diphenylphosphane?
The IUPAC name of [4,5-dihydro-1,3-oxazol-2-yl(diphenylphosphanyl)methyl]-diphenylphosphane (CID 102522056) is [4,5-dihydro-1,3-oxazol-2-yl(diphenylphosphanyl)methyl]-diphenylphosphane.
What is the SMILES notation for [4,5-dihydro-1,3-oxazol-2-yl(diphenylphosphanyl)methyl]-diphenylphosphane?
The canonical SMILES for [4,5-dihydro-1,3-oxazol-2-yl(diphenylphosphanyl)methyl]-diphenylphosphane is c1ccc(P(c2ccccc2)C(C2=NCCO2)P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of [4,5-dihydro-1,3-oxazol-2-yl(diphenylphosphanyl)methyl]-diphenylphosphane?
The InChIKey is LLSHBWSLULSTFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25NOP2/c1-5-13-23(14-6-1)31(24-15-7-2-8-16-24)28(27-29-21-22-30-27)32(25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-20,28H,21-22H2.
What are the key properties of [4,5-dihydro-1,3-oxazol-2-yl(diphenylphosphanyl)methyl]-diphenylphosphane?
[4,5-dihydro-1,3-oxazol-2-yl(diphenylphosphanyl)methyl]-diphenylphosphane has a molecular weight of 453.46 g/mol, XLogP of 5.01, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4,5-dihydro-1,3-oxazol-2-yl(diphenylphosphanyl)methyl]-diphenylphosphane is sourced from PubChem (CID 102522056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).