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

C28H24NOP — CID 10875716

IUPAC[2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-diphenylphosphane
SMILESc1ccc(C[C@H]2COC(c3ccccc3P(c3ccccc3)c3ccccc3)=N2)cc1
InChIInChI=1S/C28H24NOP/c1-4-12-22(13-5-1)20-23-21-30-28(29-23)26-18-10-11-19-27(26)31(24-14-6-2-7-15-24)25-16-8-3-9-17-25/h1-19,23H,20-21H2/t23-/m0/s1
InChIKeyPXKBZZCPBWBSKT-QHCPKHFHSA-N
MW421.48 g/mol
LogP4.83
Rot. Bonds6

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

[2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-diphenylphosphane (PubChem CID 10875716) has the molecular formula C28H24NOP and a molecular weight of 421.48 g/mol. Its IUPAC name is [2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-diphenylphosphane.

Molecular Properties

Compound Name[2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-diphenylphosphane
PubChem CID10875716
Molecular FormulaC28H24NOP
Molecular Weight421.48 g/mol
Exact Mass421.16
IUPAC Name[2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-diphenylphosphane
SMILESc1ccc(C[C@H]2COC(c3ccccc3P(c3ccccc3)c3ccccc3)=N2)cc1
InChIInChI=1S/C28H24NOP/c1-4-12-22(13-5-1)20-23-21-30-28(29-23)26-18-10-11-19-27(26)31(24-14-6-2-7-15-24)25-16-8-3-9-17-25/h1-19,23H,20-21H2/t23-/m0/s1
InChIKeyPXKBZZCPBWBSKT-QHCPKHFHSA-N
XLogP4.83
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.48
LogP ≤ 54.83
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 [2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-diphenylphosphane?
The IUPAC name of [2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-diphenylphosphane (CID 10875716) is [2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-diphenylphosphane.
What is the SMILES notation for [2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-diphenylphosphane?
The canonical SMILES for [2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-diphenylphosphane is c1ccc(C[C@H]2COC(c3ccccc3P(c3ccccc3)c3ccccc3)=N2)cc1.
What is the InChIKey of [2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-diphenylphosphane?
The InChIKey is PXKBZZCPBWBSKT-QHCPKHFHSA-N. The full InChI is InChI=1S/C28H24NOP/c1-4-12-22(13-5-1)20-23-21-30-28(29-23)26-18-10-11-19-27(26)31(24-14-6-2-7-15-24)25-16-8-3-9-17-25/h1-19,23H,20-21H2/t23-/m0/s1.
What are the key properties of [2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-diphenylphosphane?
[2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-diphenylphosphane has a molecular weight of 421.48 g/mol, XLogP of 4.83, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-diphenylphosphane is sourced from PubChem (CID 10875716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).