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

C25H26NOP — CID 11222940

IUPAC[2-[(4R)-2-tert-butyl-4,5-dihydro-1,3-oxazol-4-yl]phenyl]-diphenylphosphane
SMILESCC(C)(C)C1=N[C@H](c2ccccc2P(c2ccccc2)c2ccccc2)CO1
InChIInChI=1S/C25H26NOP/c1-25(2,3)24-26-22(18-27-24)21-16-10-11-17-23(21)28(19-12-6-4-7-13-19)20-14-8-5-9-15-20/h4-17,22H,18H2,1-3H3/t22-/m0/s1
InChIKeyTXNZOOPHQVPCCW-QFIPXVFZSA-N
MW387.46 g/mol
LogP4.96
Rot. Bonds4

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

[2-[(4R)-2-tert-butyl-4,5-dihydro-1,3-oxazol-4-yl]phenyl]-diphenylphosphane (PubChem CID 11222940) has the molecular formula C25H26NOP and a molecular weight of 387.46 g/mol. Its IUPAC name is [2-[(4R)-2-tert-butyl-4,5-dihydro-1,3-oxazol-4-yl]phenyl]-diphenylphosphane.

Molecular Properties

Compound Name[2-[(4R)-2-tert-butyl-4,5-dihydro-1,3-oxazol-4-yl]phenyl]-diphenylphosphane
PubChem CID11222940
Molecular FormulaC25H26NOP
Molecular Weight387.46 g/mol
Exact Mass387.18
IUPAC Name[2-[(4R)-2-tert-butyl-4,5-dihydro-1,3-oxazol-4-yl]phenyl]-diphenylphosphane
SMILESCC(C)(C)C1=N[C@H](c2ccccc2P(c2ccccc2)c2ccccc2)CO1
InChIInChI=1S/C25H26NOP/c1-25(2,3)24-26-22(18-27-24)21-16-10-11-17-23(21)28(19-12-6-4-7-13-19)20-14-8-5-9-15-20/h4-17,22H,18H2,1-3H3/t22-/m0/s1
InChIKeyTXNZOOPHQVPCCW-QFIPXVFZSA-N
XLogP4.96
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
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 [2-[(4R)-2-tert-butyl-4,5-dihydro-1,3-oxazol-4-yl]phenyl]-diphenylphosphane?
The IUPAC name of [2-[(4R)-2-tert-butyl-4,5-dihydro-1,3-oxazol-4-yl]phenyl]-diphenylphosphane (CID 11222940) is [2-[(4R)-2-tert-butyl-4,5-dihydro-1,3-oxazol-4-yl]phenyl]-diphenylphosphane.
What is the SMILES notation for [2-[(4R)-2-tert-butyl-4,5-dihydro-1,3-oxazol-4-yl]phenyl]-diphenylphosphane?
The canonical SMILES for [2-[(4R)-2-tert-butyl-4,5-dihydro-1,3-oxazol-4-yl]phenyl]-diphenylphosphane is CC(C)(C)C1=N[C@H](c2ccccc2P(c2ccccc2)c2ccccc2)CO1.
What is the InChIKey of [2-[(4R)-2-tert-butyl-4,5-dihydro-1,3-oxazol-4-yl]phenyl]-diphenylphosphane?
The InChIKey is TXNZOOPHQVPCCW-QFIPXVFZSA-N. The full InChI is InChI=1S/C25H26NOP/c1-25(2,3)24-26-22(18-27-24)21-16-10-11-17-23(21)28(19-12-6-4-7-13-19)20-14-8-5-9-15-20/h4-17,22H,18H2,1-3H3/t22-/m0/s1.
What are the key properties of [2-[(4R)-2-tert-butyl-4,5-dihydro-1,3-oxazol-4-yl]phenyl]-diphenylphosphane?
[2-[(4R)-2-tert-butyl-4,5-dihydro-1,3-oxazol-4-yl]phenyl]-diphenylphosphane has a molecular weight of 387.46 g/mol, XLogP of 4.96, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4R)-2-tert-butyl-4,5-dihydro-1,3-oxazol-4-yl]phenyl]-diphenylphosphane is sourced from PubChem (CID 11222940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).