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

C27H22NOP — CID 11058621

IUPACdiphenyl-[2-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]phosphane
SMILESc1ccc([C@H]2COC(c3ccccc3P(c3ccccc3)c3ccccc3)=N2)cc1
InChIInChI=1S/C27H22NOP/c1-4-12-21(13-5-1)25-20-29-27(28-25)24-18-10-11-19-26(24)30(22-14-6-2-7-15-22)23-16-8-3-9-17-23/h1-19,25H,20H2/t25-/m1/s1
InChIKeyOKUTYUNUKKPYJS-RUZDIDTESA-N
MW407.45 g/mol
LogP4.96
Rot. Bonds5

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

diphenyl-[2-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]phosphane (PubChem CID 11058621) has the molecular formula C27H22NOP and a molecular weight of 407.45 g/mol. Its IUPAC name is diphenyl-[2-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]phosphane.

Molecular Properties

Compound Namediphenyl-[2-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]phosphane
PubChem CID11058621
Molecular FormulaC27H22NOP
Molecular Weight407.45 g/mol
Exact Mass407.14
IUPAC Namediphenyl-[2-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]phosphane
SMILESc1ccc([C@H]2COC(c3ccccc3P(c3ccccc3)c3ccccc3)=N2)cc1
InChIInChI=1S/C27H22NOP/c1-4-12-21(13-5-1)25-20-29-27(28-25)24-18-10-11-19-26(24)30(22-14-6-2-7-15-22)23-16-8-3-9-17-23/h1-19,25H,20H2/t25-/m1/s1
InChIKeyOKUTYUNUKKPYJS-RUZDIDTESA-N
XLogP4.96
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.45
LogP ≤ 54.96
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 diphenyl-[2-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]phosphane?
The IUPAC name of diphenyl-[2-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]phosphane (CID 11058621) is diphenyl-[2-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]phosphane.
What is the SMILES notation for diphenyl-[2-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]phosphane?
The canonical SMILES for diphenyl-[2-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]phosphane is c1ccc([C@H]2COC(c3ccccc3P(c3ccccc3)c3ccccc3)=N2)cc1.
What is the InChIKey of diphenyl-[2-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]phosphane?
The InChIKey is OKUTYUNUKKPYJS-RUZDIDTESA-N. The full InChI is InChI=1S/C27H22NOP/c1-4-12-21(13-5-1)25-20-29-27(28-25)24-18-10-11-19-26(24)30(22-14-6-2-7-15-22)23-16-8-3-9-17-23/h1-19,25H,20H2/t25-/m1/s1.
What are the key properties of diphenyl-[2-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]phosphane?
diphenyl-[2-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]phosphane has a molecular weight of 407.45 g/mol, XLogP of 4.96, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyl-[2-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]phosphane is sourced from PubChem (CID 11058621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).