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

C25H26NOP — CID 170897725

IUPAC2-[(4R)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl-diphenylphosphane
SMILESCC(C)(C1=N[C@H](Cc2ccccc2)CO1)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H26NOP/c1-25(2,24-26-21(19-27-24)18-20-12-6-3-7-13-20)28(22-14-8-4-9-15-22)23-16-10-5-11-17-23/h3-17,21H,18-19H2,1-2H3/t21-/m1/s1
InChIKeyFAFDZWJVILFJKZ-OAQYLSRUSA-N
MW387.46 g/mol
LogP4.94
Rot. Bonds6

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

2-[(4R)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl-diphenylphosphane (PubChem CID 170897725) has the molecular formula C25H26NOP and a molecular weight of 387.46 g/mol. Its IUPAC name is 2-[(4R)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl-diphenylphosphane.

Molecular Properties

Compound Name2-[(4R)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl-diphenylphosphane
PubChem CID170897725
Molecular FormulaC25H26NOP
Molecular Weight387.46 g/mol
Exact Mass387.18
IUPAC Name2-[(4R)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl-diphenylphosphane
SMILESCC(C)(C1=N[C@H](Cc2ccccc2)CO1)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H26NOP/c1-25(2,24-26-21(19-27-24)18-20-12-6-3-7-13-20)28(22-14-8-4-9-15-22)23-16-10-5-11-17-23/h3-17,21H,18-19H2,1-2H3/t21-/m1/s1
InChIKeyFAFDZWJVILFJKZ-OAQYLSRUSA-N
XLogP4.94
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 54.94
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-[(4R)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl-diphenylphosphane?
The IUPAC name of 2-[(4R)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl-diphenylphosphane (CID 170897725) is 2-[(4R)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl-diphenylphosphane.
What is the SMILES notation for 2-[(4R)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl-diphenylphosphane?
The canonical SMILES for 2-[(4R)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl-diphenylphosphane is CC(C)(C1=N[C@H](Cc2ccccc2)CO1)P(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[(4R)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl-diphenylphosphane?
The InChIKey is FAFDZWJVILFJKZ-OAQYLSRUSA-N. The full InChI is InChI=1S/C25H26NOP/c1-25(2,24-26-21(19-27-24)18-20-12-6-3-7-13-20)28(22-14-8-4-9-15-22)23-16-10-5-11-17-23/h3-17,21H,18-19H2,1-2H3/t21-/m1/s1.
What are the key properties of 2-[(4R)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl-diphenylphosphane?
2-[(4R)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl-diphenylphosphane has a molecular weight of 387.46 g/mol, XLogP of 4.94, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl-diphenylphosphane is sourced from PubChem (CID 170897725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).