[(2S)-2-[(4R)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]pyrrolidin-1-yl]-bis(2-ethylphenyl)phosphane

C27H37N2OP — CID 11240400

About [(2S)-2-[(4R)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]pyrrolidin-1-yl]-bis(2-ethylphenyl)phosphane

[(2S)-2-[(4R)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]pyrrolidin-1-yl]-bis(2-ethylphenyl)phosphane (PubChem CID 11240400) has the molecular formula C27H37N2OP and a molecular weight of 436.58 g/mol. Its IUPAC name is [(2S)-2-[(4R)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]pyrrolidin-1-yl]-bis(2-ethylphenyl)phosphane.

Molecular Properties

• Compound Name: [(2S)-2-[(4R)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]pyrrolidin-1-yl]-bis(2-ethylphenyl)phosphane
• PubChem CID: 11240400
• Molecular Formula: C27H37N2OP
• Molecular Weight: 436.58 g/mol
• Exact Mass: 436.26
• IUPAC Name: [(2S)-2-[(4R)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]pyrrolidin-1-yl]-bis(2-ethylphenyl)phosphane
• SMILES: CCc1ccccc1P(c1ccccc1CC)N1CCC[C@H]1C1=N[C@H](C(C)(C)C)CO1
• InChI: InChI=1S/C27H37N2OP/c1-6-20-13-8-10-16-23(20)31(24-17-11-9-14-21(24)7-2)29-18-12-15-22(29)26-28-25(19-30-26)27(3,4)5/h8-11,13-14,16-17,22,25H,6-7,12,15,18-19H2,1-5H3/t22-,25-/m0/s1
• InChIKey: JVHSVNXAHLPLCF-DHLKQENFSA-N
• XLogP: 5.47
• TPSA: 24.83 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	436.58
LogP ≤ 5	5.47
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 [(2S)-2-[(4R)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]pyrrolidin-1-yl]-bis(2-ethylphenyl)phosphane?

The IUPAC name of [(2S)-2-[(4R)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]pyrrolidin-1-yl]-bis(2-ethylphenyl)phosphane (CID 11240400) is [(2S)-2-[(4R)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]pyrrolidin-1-yl]-bis(2-ethylphenyl)phosphane.

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

The canonical SMILES for [(2S)-2-[(4R)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]pyrrolidin-1-yl]-bis(2-ethylphenyl)phosphane is CCc1ccccc1P(c1ccccc1CC)N1CCC[C@H]1C1=N[C@H](C(C)(C)C)CO1.

What is the InChIKey of [(2S)-2-[(4R)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]pyrrolidin-1-yl]-bis(2-ethylphenyl)phosphane?

The InChIKey is JVHSVNXAHLPLCF-DHLKQENFSA-N. The full InChI is InChI=1S/C27H37N2OP/c1-6-20-13-8-10-16-23(20)31(24-17-11-9-14-21(24)7-2)29-18-12-15-22(29)26-28-25(19-30-26)27(3,4)5/h8-11,13-14,16-17,22,25H,6-7,12,15,18-19H2,1-5H3/t22-,25-/m0/s1.

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

[(2S)-2-[(4R)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]pyrrolidin-1-yl]-bis(2-ethylphenyl)phosphane has a molecular weight of 436.58 g/mol, XLogP of 5.47, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for [(2S)-2-[(4R)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]pyrrolidin-1-yl]-bis(2-ethylphenyl)phosphane is sourced from PubChem (CID 11240400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).