diphenyl-[(5S)-5-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]cyclopenten-1-yl]phosphane

C23H26NOP — CID 90883311

IUPACdiphenyl-[(5S)-5-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]cyclopenten-1-yl]phosphane
SMILESCC(C)[C@H]1COC([C@@H]2CCC=C2P(c2ccccc2)c2ccccc2)=N1
InChIInChI=1S/C23H26NOP/c1-17(2)21-16-25-23(24-21)20-14-9-15-22(20)26(18-10-5-3-6-11-18)19-12-7-4-8-13-19/h3-8,10-13,15,17,20-21H,9,14,16H2,1-2H3/t20-,21-/m1/s1
InChIKeyBBSTYIGISXBTEV-NHCUHLMSSA-N
MW363.44 g/mol
LogP4.87
Rot. Bonds5

About diphenyl-[(5S)-5-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]cyclopenten-1-yl]phosphane

diphenyl-[(5S)-5-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]cyclopenten-1-yl]phosphane (PubChem CID 90883311) has the molecular formula C23H26NOP and a molecular weight of 363.44 g/mol. Its IUPAC name is diphenyl-[(5S)-5-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]cyclopenten-1-yl]phosphane.

Molecular Properties

Compound Namediphenyl-[(5S)-5-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]cyclopenten-1-yl]phosphane
PubChem CID90883311
Molecular FormulaC23H26NOP
Molecular Weight363.44 g/mol
Exact Mass363.18
IUPAC Namediphenyl-[(5S)-5-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]cyclopenten-1-yl]phosphane
SMILESCC(C)[C@H]1COC([C@@H]2CCC=C2P(c2ccccc2)c2ccccc2)=N1
InChIInChI=1S/C23H26NOP/c1-17(2)21-16-25-23(24-21)20-14-9-15-22(20)26(18-10-5-3-6-11-18)19-12-7-4-8-13-19/h3-8,10-13,15,17,20-21H,9,14,16H2,1-2H3/t20-,21-/m1/s1
InChIKeyBBSTYIGISXBTEV-NHCUHLMSSA-N
XLogP4.87
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 54.87
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 diphenyl-[(5S)-5-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]cyclopenten-1-yl]phosphane?
The IUPAC name of diphenyl-[(5S)-5-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]cyclopenten-1-yl]phosphane (CID 90883311) is diphenyl-[(5S)-5-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]cyclopenten-1-yl]phosphane.
What is the SMILES notation for diphenyl-[(5S)-5-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]cyclopenten-1-yl]phosphane?
The canonical SMILES for diphenyl-[(5S)-5-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]cyclopenten-1-yl]phosphane is CC(C)[C@H]1COC([C@@H]2CCC=C2P(c2ccccc2)c2ccccc2)=N1.
What is the InChIKey of diphenyl-[(5S)-5-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]cyclopenten-1-yl]phosphane?
The InChIKey is BBSTYIGISXBTEV-NHCUHLMSSA-N. The full InChI is InChI=1S/C23H26NOP/c1-17(2)21-16-25-23(24-21)20-14-9-15-22(20)26(18-10-5-3-6-11-18)19-12-7-4-8-13-19/h3-8,10-13,15,17,20-21H,9,14,16H2,1-2H3/t20-,21-/m1/s1.
What are the key properties of diphenyl-[(5S)-5-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]cyclopenten-1-yl]phosphane?
diphenyl-[(5S)-5-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]cyclopenten-1-yl]phosphane has a molecular weight of 363.44 g/mol, XLogP of 4.87, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyl-[(5S)-5-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]cyclopenten-1-yl]phosphane is sourced from PubChem (CID 90883311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).