phenyl-bis[2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]ethyl]phosphane

C28H29N2O2P — CID 11048741

IUPACphenyl-bis[2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]ethyl]phosphane
SMILESc1ccc([C@@H]2COC(CCP(CCC3=N[C@H](c4ccccc4)CO3)c3ccccc3)=N2)cc1
InChIInChI=1S/C28H29N2O2P/c1-4-10-22(11-5-1)25-20-31-27(29-25)16-18-33(24-14-8-3-9-15-24)19-17-28-30-26(21-32-28)23-12-6-2-7-13-23/h1-15,25-26H,16-21H2/t25-,26-/m0/s1
InChIKeyOUPLQIVEABYSGJ-UIOOFZCWSA-N
MW456.53 g/mol
LogP5.91
Rot. Bonds9

About phenyl-bis[2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]ethyl]phosphane

phenyl-bis[2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]ethyl]phosphane (PubChem CID 11048741) has the molecular formula C28H29N2O2P and a molecular weight of 456.53 g/mol. Its IUPAC name is phenyl-bis[2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]ethyl]phosphane.

Molecular Properties

Compound Namephenyl-bis[2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]ethyl]phosphane
PubChem CID11048741
Molecular FormulaC28H29N2O2P
Molecular Weight456.53 g/mol
Exact Mass456.20
IUPAC Namephenyl-bis[2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]ethyl]phosphane
SMILESc1ccc([C@@H]2COC(CCP(CCC3=N[C@H](c4ccccc4)CO3)c3ccccc3)=N2)cc1
InChIInChI=1S/C28H29N2O2P/c1-4-10-22(11-5-1)25-20-31-27(29-25)16-18-33(24-14-8-3-9-15-24)19-17-28-30-26(21-32-28)23-12-6-2-7-13-23/h1-15,25-26H,16-21H2/t25-,26-/m0/s1
InChIKeyOUPLQIVEABYSGJ-UIOOFZCWSA-N
XLogP5.91
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.53
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(S,S)-2,2'-Isopropylidenebis(4-phenyl-2-oxazoline)
CID 676388
Ph-box, (R,R)-
CID 676390
(S,S)-2,2'-Methylenebis(4-phenyl-2-oxazoline)
CID 736684
2,2'-(Propane-2,2-diyl)bis(4-phenyl-4,5-dihydrooxazole)
CID 3957686
[2-[(4R)-2-benzhydryl-4,5-dihydro-1,3-oxazol-4-yl]phenyl]-diphenylphosphane
CID 12178028
Oxazole, 2-[2-(diphenylphosphino)phenyl]-4,5-dihydro-4-phenyl-
CID 4194921
(R)-(-)-2-[2-(Diphenylphosphino)phenyl]-4-phenyl-2-oxazoline
CID 9822657
(4S,4'S)-2,2'-(Cyclopropane-1,1-diyl)bis(4-phenyl-4,5-dihydrooxazole)
CID 10496806
(4S,5R)-5-methyl-2-[2-[(4S,5R)-5-methyl-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4-phenyl-4,5-dihydro-1,3-oxazole
CID 10546604
(4S)-2-[2-[(4S)-5,5-dimethyl-4-phenyl-4H-1,3-oxazol-2-yl]propan-2-yl]-5,5-dimethyl-4-phenyl-4H-1,3-oxazole
CID 10897320
2,2'-Methylenebis((4S)-4-benzyl-4,5-dihydro-2-oxazole)
CID 11028000
(S)-(+)-2-[2-(Diphenylphosphino)phenyl]-4-phenyl-2-oxazoline
CID 11058621

Frequently Asked Questions

What is the IUPAC name of phenyl-bis[2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]ethyl]phosphane?
The IUPAC name of phenyl-bis[2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]ethyl]phosphane (CID 11048741) is phenyl-bis[2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]ethyl]phosphane.
What is the SMILES notation for phenyl-bis[2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]ethyl]phosphane?
The canonical SMILES for phenyl-bis[2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]ethyl]phosphane is c1ccc([C@@H]2COC(CCP(CCC3=N[C@H](c4ccccc4)CO3)c3ccccc3)=N2)cc1.
What is the InChIKey of phenyl-bis[2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]ethyl]phosphane?
The InChIKey is OUPLQIVEABYSGJ-UIOOFZCWSA-N. The full InChI is InChI=1S/C28H29N2O2P/c1-4-10-22(11-5-1)25-20-31-27(29-25)16-18-33(24-14-8-3-9-15-24)19-17-28-30-26(21-32-28)23-12-6-2-7-13-23/h1-15,25-26H,16-21H2/t25-,26-/m0/s1.
What are the key properties of phenyl-bis[2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]ethyl]phosphane?
phenyl-bis[2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]ethyl]phosphane has a molecular weight of 456.53 g/mol, XLogP of 5.91, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-bis[2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]ethyl]phosphane is sourced from PubChem (CID 11048741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).