2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yloxy-bis(2-methylphenyl)phosphane

C24H32NO2P — CID 11182542

About 2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yloxy-bis(2-methylphenyl)phosphane

2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yloxy-bis(2-methylphenyl)phosphane (PubChem CID 11182542) has the molecular formula C24H32NO2P and a molecular weight of 397.50 g/mol. Its IUPAC name is 2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yloxy-bis(2-methylphenyl)phosphane.

Molecular Properties

• Compound Name: 2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yloxy-bis(2-methylphenyl)phosphane
• PubChem CID: 11182542
• Molecular Formula: C24H32NO2P
• Molecular Weight: 397.50 g/mol
• Exact Mass: 397.22
• IUPAC Name: 2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yloxy-bis(2-methylphenyl)phosphane
• SMILES: Cc1ccccc1P(OC(C)(C)C1=N[C@@H](C(C)(C)C)CO1)c1ccccc1C
• InChI: InChI=1S/C24H32NO2P/c1-17-12-8-10-14-19(17)28(20-15-11-9-13-18(20)2)27-24(6,7)22-25-21(16-26-22)23(3,4)5/h8-15,21H,16H2,1-7H3/t21-/m1/s1
• InChIKey: JDLOPZSZFIJWHS-OAQYLSRUSA-N
• XLogP: 5.29
• TPSA: 30.82 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	397.50
LogP ≤ 5	5.29
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yloxy-bis(2-methylphenyl)phosphane?

The IUPAC name of 2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yloxy-bis(2-methylphenyl)phosphane (CID 11182542) is 2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yloxy-bis(2-methylphenyl)phosphane.

What is the SMILES notation for 2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yloxy-bis(2-methylphenyl)phosphane?

The canonical SMILES for 2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yloxy-bis(2-methylphenyl)phosphane is Cc1ccccc1P(OC(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]propan-2-yloxy-bis(2-methylphenyl)phosphane?

The InChIKey is JDLOPZSZFIJWHS-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H32NO2P/c1-17-12-8-10-14-19(17)28(20-15-11-9-13-18(20)2)27-24(6,7)22-25-21(16-26-22)23(3,4)5/h8-15,21H,16H2,1-7H3/t21-/m1/s1.

What are the key properties of 2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yloxy-bis(2-methylphenyl)phosphane?

2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yloxy-bis(2-methylphenyl)phosphane has a molecular weight of 397.50 g/mol, XLogP of 5.29, 5 rotatable bonds, 0 hydrogen bond donors, and 3 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]propan-2-yloxy-bis(2-methylphenyl)phosphane is sourced from PubChem (CID 11182542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).