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

C33H26NOP — CID 102300299

IUPACdiphenyl-[2-[2-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]phenyl]phosphane
SMILESc1ccc([C@H]2COC(c3ccccc3-c3ccccc3P(c3ccccc3)c3ccccc3)=N2)cc1
InChIInChI=1S/C33H26NOP/c1-4-14-25(15-5-1)31-24-35-33(34-31)30-22-11-10-20-28(30)29-21-12-13-23-32(29)36(26-16-6-2-7-17-26)27-18-8-3-9-19-27/h1-23,31H,24H2/t31-/m1/s1
InChIKeyFXGJIAFCHRZJGU-WJOKGBTCSA-N
MW483.55 g/mol
LogP6.63
Rot. Bonds6

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

diphenyl-[2-[2-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]phenyl]phosphane (PubChem CID 102300299) has the molecular formula C33H26NOP and a molecular weight of 483.55 g/mol. Its IUPAC name is diphenyl-[2-[2-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]phenyl]phosphane.

Molecular Properties

Compound Namediphenyl-[2-[2-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]phenyl]phosphane
PubChem CID102300299
Molecular FormulaC33H26NOP
Molecular Weight483.55 g/mol
Exact Mass483.18
IUPAC Namediphenyl-[2-[2-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]phenyl]phosphane
SMILESc1ccc([C@H]2COC(c3ccccc3-c3ccccc3P(c3ccccc3)c3ccccc3)=N2)cc1
InChIInChI=1S/C33H26NOP/c1-4-14-25(15-5-1)31-24-35-33(34-31)30-22-11-10-20-28(30)29-21-12-13-23-32(29)36(26-16-6-2-7-17-26)27-18-8-3-9-19-27/h1-23,31H,24H2/t31-/m1/s1
InChIKeyFXGJIAFCHRZJGU-WJOKGBTCSA-N
XLogP6.63
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.55
LogP ≤ 56.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze diphenyl-[2-[2-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]phenyl]phosphane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of diphenyl-[2-[2-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]phenyl]phosphane?
The IUPAC name of diphenyl-[2-[2-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]phenyl]phosphane (CID 102300299) is diphenyl-[2-[2-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]phenyl]phosphane.
What is the SMILES notation for diphenyl-[2-[2-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]phenyl]phosphane?
The canonical SMILES for diphenyl-[2-[2-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]phenyl]phosphane is c1ccc([C@H]2COC(c3ccccc3-c3ccccc3P(c3ccccc3)c3ccccc3)=N2)cc1.
What is the InChIKey of diphenyl-[2-[2-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]phenyl]phosphane?
The InChIKey is FXGJIAFCHRZJGU-WJOKGBTCSA-N. The full InChI is InChI=1S/C33H26NOP/c1-4-14-25(15-5-1)31-24-35-33(34-31)30-22-11-10-20-28(30)29-21-12-13-23-32(29)36(26-16-6-2-7-17-26)27-18-8-3-9-19-27/h1-23,31H,24H2/t31-/m1/s1.
What are the key properties of diphenyl-[2-[2-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]phenyl]phosphane?
diphenyl-[2-[2-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]phenyl]phosphane has a molecular weight of 483.55 g/mol, XLogP of 6.63, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyl-[2-[2-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]phenyl]phosphane is sourced from PubChem (CID 102300299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).