About [2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-2-methylpropyl]-bis(2-methylphenyl)phosphane
[2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-2-methylpropyl]-bis(2-methylphenyl)phosphane (PubChem CID 44512532) has the molecular formula C25H34NOP
and a molecular weight of 395.53 g/mol. Its IUPAC name is [2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-2-methylpropyl]-bis(2-methylphenyl)phosphane.
Molecular Properties
| Compound Name | [2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-2-methylpropyl]-bis(2-methylphenyl)phosphane |
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| PubChem CID | 44512532 |
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| Molecular Formula | C25H34NOP |
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| Molecular Weight | 395.53 g/mol |
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| Exact Mass | 395.24 |
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| IUPAC Name | [2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-2-methylpropyl]-bis(2-methylphenyl)phosphane |
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| SMILES | Cc1ccccc1P(CC(C)(C)C1=N[C@@H](C(C)(C)C)CO1)c1ccccc1C |
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| InChI | InChI=1S/C25H34NOP/c1-18-12-8-10-14-20(18)28(21-15-11-9-13-19(21)2)17-25(6,7)23-26-22(16-27-23)24(3,4)5/h8-15,22H,16-17H2,1-7H3/t22-/m1/s1 |
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| InChIKey | TZGODYQOHHPDPC-JOCHJYFZSA-N |
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| XLogP | 5.61 |
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| TPSA | 21.59 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 2 |
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| Rotatable Bonds | 5 |
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| Heavy Atoms | 28 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 395.53 |
| LogP ≤ 5 | 5.61 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
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]-bis(2-methylphenyl)phosphane?
The IUPAC name of [2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-2-methylpropyl]-bis(2-methylphenyl)phosphane (CID 44512532) is [2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-2-methylpropyl]-bis(2-methylphenyl)phosphane.
What is the SMILES notation for [2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-2-methylpropyl]-bis(2-methylphenyl)phosphane?
The canonical SMILES for [2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-2-methylpropyl]-bis(2-methylphenyl)phosphane is Cc1ccccc1P(CC(C)(C)C1=N[C@@H](C(C)(C)C)CO1)c1ccccc1C.
What is the InChIKey of [2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-2-methylpropyl]-bis(2-methylphenyl)phosphane?
The InChIKey is TZGODYQOHHPDPC-JOCHJYFZSA-N. The full InChI is InChI=1S/C25H34NOP/c1-18-12-8-10-14-20(18)28(21-15-11-9-13-19(21)2)17-25(6,7)23-26-22(16-27-23)24(3,4)5/h8-15,22H,16-17H2,1-7H3/t22-/m1/s1.
What are the key properties of [2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-2-methylpropyl]-bis(2-methylphenyl)phosphane?
[2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-2-methylpropyl]-bis(2-methylphenyl)phosphane has a molecular weight of 395.53 g/mol, XLogP of 5.61, 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]-bis(2-methylphenyl)phosphane is sourced from PubChem (CID 44512532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).