[2-[[(4R)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]phenyl]-diphenylphosphane

C26H28NOP — CID 135084848

IUPAC[2-[[(4R)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]phenyl]-diphenylphosphane
SMILESCC(C)(C)[C@@H]1COC(Cc2ccccc2P(c2ccccc2)c2ccccc2)=N1
InChIInChI=1S/C26H28NOP/c1-26(2,3)24-19-28-25(27-24)18-20-12-10-11-17-23(20)29(21-13-6-4-7-14-21)22-15-8-5-9-16-22/h4-17,24H,18-19H2,1-3H3/t24-/m0/s1
InChIKeyNLXOAOKBRNOSBF-DEOSSOPVSA-N
MW401.49 g/mol
LogP4.83
Rot. Bonds5

About [2-[[(4R)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]phenyl]-diphenylphosphane

[2-[[(4R)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]phenyl]-diphenylphosphane (PubChem CID 135084848) has the molecular formula C26H28NOP and a molecular weight of 401.49 g/mol. Its IUPAC name is [2-[[(4R)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]phenyl]-diphenylphosphane.

Molecular Properties

Compound Name[2-[[(4R)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]phenyl]-diphenylphosphane
PubChem CID135084848
Molecular FormulaC26H28NOP
Molecular Weight401.49 g/mol
Exact Mass401.19
IUPAC Name[2-[[(4R)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]phenyl]-diphenylphosphane
SMILESCC(C)(C)[C@@H]1COC(Cc2ccccc2P(c2ccccc2)c2ccccc2)=N1
InChIInChI=1S/C26H28NOP/c1-26(2,3)24-19-28-25(27-24)18-20-12-10-11-17-23(20)29(21-13-6-4-7-14-21)22-15-8-5-9-16-22/h4-17,24H,18-19H2,1-3H3/t24-/m0/s1
InChIKeyNLXOAOKBRNOSBF-DEOSSOPVSA-N
XLogP4.83
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.49
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-[[(4R)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]phenyl]-diphenylphosphane?
The IUPAC name of [2-[[(4R)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]phenyl]-diphenylphosphane (CID 135084848) is [2-[[(4R)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]phenyl]-diphenylphosphane.
What is the SMILES notation for [2-[[(4R)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]phenyl]-diphenylphosphane?
The canonical SMILES for [2-[[(4R)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]phenyl]-diphenylphosphane is CC(C)(C)[C@@H]1COC(Cc2ccccc2P(c2ccccc2)c2ccccc2)=N1.
What is the InChIKey of [2-[[(4R)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]phenyl]-diphenylphosphane?
The InChIKey is NLXOAOKBRNOSBF-DEOSSOPVSA-N. The full InChI is InChI=1S/C26H28NOP/c1-26(2,3)24-19-28-25(27-24)18-20-12-10-11-17-23(20)29(21-13-6-4-7-14-21)22-15-8-5-9-16-22/h4-17,24H,18-19H2,1-3H3/t24-/m0/s1.
What are the key properties of [2-[[(4R)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]phenyl]-diphenylphosphane?
[2-[[(4R)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]phenyl]-diphenylphosphane has a molecular weight of 401.49 g/mol, XLogP of 4.83, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(4R)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]phenyl]-diphenylphosphane is sourced from PubChem (CID 135084848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).