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

C25H25N2OP — CID 144924325

IUPACdiphenyl-[(2S)-2-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)pyrrolidin-1-yl]phosphane
SMILESc1ccc(C2COC([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-CGAIIQECSA-N
MW400.46 g/mol
LogP4.67
Rot. Bonds5

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

diphenyl-[(2S)-2-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)pyrrolidin-1-yl]phosphane (PubChem CID 144924325) has the molecular formula C25H25N2OP and a molecular weight of 400.46 g/mol. Its IUPAC name is diphenyl-[(2S)-2-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)pyrrolidin-1-yl]phosphane.

Molecular Properties

Compound Namediphenyl-[(2S)-2-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)pyrrolidin-1-yl]phosphane
PubChem CID144924325
Molecular FormulaC25H25N2OP
Molecular Weight400.46 g/mol
Exact Mass400.17
IUPAC Namediphenyl-[(2S)-2-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)pyrrolidin-1-yl]phosphane
SMILESc1ccc(C2COC([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-CGAIIQECSA-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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Related Compounds

(S,S)-2,2'-Methylenebis(4-phenyl-2-oxazoline)
CID 736684
1-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-N-[[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]methanamine
CID 59919098
(4R)-4-phenyl-2-[[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-4,5-dihydro-1,3-oxazole
CID 1268081
4-Phenyl-2-[(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]-4,5-dihydro-1,3-oxazole
CID 3611900
2-tert-Butyl-(4R)-(2-diphenylphosphanyl-phenyl)-4,5-dihydro-oxazole
CID 11222940
(4R)-4-phenyl-2-(2-phenylethyl)-4,5-dihydro-1,3-oxazole
CID 57815569
phenyl-bis[2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]ethyl]phosphane
CID 11048741
(4R)-2-[(2,5-diphenylphosphol-1-yl)methyl]-4-phenyl-4,5-dihydro-1,3-oxazole
CID 11238496
(1S,2S)-1,2-Bis((S)-4-phenyl-4,5-dihydrooxazol-2-yl)cyclohexane
CID 11372252
(4R,4'R)-2,2'-(2-Phenylethane-1,1-diyl)bis(4-phenyl-4,5-dihydrooxazole)
CID 127262970
(4S)-4-phenyl-2-[2-phenyl-1-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]ethyl]-4,5-dihydro-1,3-oxazole
CID 127262971
diphenyl-[(5E)-5-[(4S)-4-phenyl-1,3-oxazolidin-3-id-2-ylidene]cyclopenta-1,3-dien-1-yl]phosphane
CID 134848402

Frequently Asked Questions

What is the IUPAC name of diphenyl-[(2S)-2-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)pyrrolidin-1-yl]phosphane?
The IUPAC name of diphenyl-[(2S)-2-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)pyrrolidin-1-yl]phosphane (CID 144924325) is diphenyl-[(2S)-2-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)pyrrolidin-1-yl]phosphane.
What is the SMILES notation for diphenyl-[(2S)-2-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)pyrrolidin-1-yl]phosphane?
The canonical SMILES for diphenyl-[(2S)-2-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)pyrrolidin-1-yl]phosphane is c1ccc(C2COC([C@@H]3CCCN3P(c3ccccc3)c3ccccc3)=N2)cc1.
What is the InChIKey of diphenyl-[(2S)-2-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)pyrrolidin-1-yl]phosphane?
The InChIKey is QAKHCVSFJZYUCE-CGAIIQECSA-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-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)pyrrolidin-1-yl]phosphane?
diphenyl-[(2S)-2-(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-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)pyrrolidin-1-yl]phosphane is sourced from PubChem (CID 144924325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).