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

C25H25N2OP — CID 101166329

IUPACdiphenyl-[(2S)-2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]pyrrolidin-1-yl]phosphane
SMILESc1ccc([C@@H]2COC([C@@H]3CCCN3P(c3ccccc3)c3ccccc3)=N2)cc1
InChIInChI=1S/C25H25N2OP/c1-4-11-20(12-5-1)23-19-28-25(26-23)24-17-10-18-27(24)29(21-13-6-2-7-14-21)22-15-8-3-9-16-22/h1-9,11-16,23-24H,10,17-19H2/t23-,24-/m0/s1
InChIKeyQAKHCVSFJZYUCE-ZEQRLZLVSA-N
MW400.46 g/mol
LogP4.67
Rot. Bonds5

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

diphenyl-[(2S)-2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]pyrrolidin-1-yl]phosphane (PubChem CID 101166329) has the molecular formula C25H25N2OP and a molecular weight of 400.46 g/mol. Its IUPAC name is diphenyl-[(2S)-2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]pyrrolidin-1-yl]phosphane.

Molecular Properties

Compound Namediphenyl-[(2S)-2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]pyrrolidin-1-yl]phosphane
PubChem CID101166329
Molecular FormulaC25H25N2OP
Molecular Weight400.46 g/mol
Exact Mass400.17
IUPAC Namediphenyl-[(2S)-2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]pyrrolidin-1-yl]phosphane
SMILESc1ccc([C@@H]2COC([C@@H]3CCCN3P(c3ccccc3)c3ccccc3)=N2)cc1
InChIInChI=1S/C25H25N2OP/c1-4-11-20(12-5-1)23-19-28-25(26-23)24-17-10-18-27(24)29(21-13-6-2-7-14-21)22-15-8-3-9-16-22/h1-9,11-16,23-24H,10,17-19H2/t23-,24-/m0/s1
InChIKeyQAKHCVSFJZYUCE-ZEQRLZLVSA-N
XLogP4.67
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.46
LogP ≤ 54.67
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 diphenyl-[(2S)-2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]pyrrolidin-1-yl]phosphane?
The IUPAC name of diphenyl-[(2S)-2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]pyrrolidin-1-yl]phosphane (CID 101166329) is diphenyl-[(2S)-2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]pyrrolidin-1-yl]phosphane.
What is the SMILES notation for diphenyl-[(2S)-2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]pyrrolidin-1-yl]phosphane?
The canonical SMILES for diphenyl-[(2S)-2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]pyrrolidin-1-yl]phosphane is c1ccc([C@@H]2COC([C@@H]3CCCN3P(c3ccccc3)c3ccccc3)=N2)cc1.
What is the InChIKey of diphenyl-[(2S)-2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]pyrrolidin-1-yl]phosphane?
The InChIKey is QAKHCVSFJZYUCE-ZEQRLZLVSA-N. The full InChI is InChI=1S/C25H25N2OP/c1-4-11-20(12-5-1)23-19-28-25(26-23)24-17-10-18-27(24)29(21-13-6-2-7-14-21)22-15-8-3-9-16-22/h1-9,11-16,23-24H,10,17-19H2/t23-,24-/m0/s1.
What are the key properties of diphenyl-[(2S)-2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]pyrrolidin-1-yl]phosphane?
diphenyl-[(2S)-2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]pyrrolidin-1-yl]phosphane has a molecular weight of 400.46 g/mol, XLogP of 4.67, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyl-[(2S)-2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]pyrrolidin-1-yl]phosphane is sourced from PubChem (CID 101166329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).