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

C23H30NOP — CID 58510233

IUPAC[2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-2-methylpropyl]-diphenylphosphane
SMILESCC(C)(CP(c1ccccc1)c1ccccc1)C1=N[C@@H](C(C)(C)C)CO1
InChIInChI=1S/C23H30NOP/c1-22(2,3)20-16-25-21(24-20)23(4,5)17-26(18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,20H,16-17H2,1-5H3/t20-/m1/s1
InChIKeyWRDAWMDVSMTYSF-HXUWFJFHSA-N
MW367.47 g/mol
LogP4.99
Rot. Bonds5

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

[2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-2-methylpropyl]-diphenylphosphane (PubChem CID 58510233) has the molecular formula C23H30NOP and a molecular weight of 367.47 g/mol. Its IUPAC name is [2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-2-methylpropyl]-diphenylphosphane.

Molecular Properties

Compound Name[2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-2-methylpropyl]-diphenylphosphane
PubChem CID58510233
Molecular FormulaC23H30NOP
Molecular Weight367.47 g/mol
Exact Mass367.21
IUPAC Name[2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-2-methylpropyl]-diphenylphosphane
SMILESCC(C)(CP(c1ccccc1)c1ccccc1)C1=N[C@@H](C(C)(C)C)CO1
InChIInChI=1S/C23H30NOP/c1-22(2,3)20-16-25-21(24-20)23(4,5)17-26(18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,20H,16-17H2,1-5H3/t20-/m1/s1
InChIKeyWRDAWMDVSMTYSF-HXUWFJFHSA-N
XLogP4.99
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 54.99
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-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-2-methylpropyl]-diphenylphosphane?
The IUPAC name of [2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-2-methylpropyl]-diphenylphosphane (CID 58510233) is [2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-2-methylpropyl]-diphenylphosphane.
What is the SMILES notation for [2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-2-methylpropyl]-diphenylphosphane?
The canonical SMILES for [2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-2-methylpropyl]-diphenylphosphane is CC(C)(CP(c1ccccc1)c1ccccc1)C1=N[C@@H](C(C)(C)C)CO1.
What is the InChIKey of [2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-2-methylpropyl]-diphenylphosphane?
The InChIKey is WRDAWMDVSMTYSF-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H30NOP/c1-22(2,3)20-16-25-21(24-20)23(4,5)17-26(18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,20H,16-17H2,1-5H3/t20-/m1/s1.
What are the key properties of [2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-2-methylpropyl]-diphenylphosphane?
[2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-2-methylpropyl]-diphenylphosphane has a molecular weight of 367.47 g/mol, XLogP of 4.99, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-2-methylpropyl]-diphenylphosphane is sourced from PubChem (CID 58510233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).