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

C22H20NOP — CID 6396282

IUPACdiphenyl-[(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]phosphane
SMILESc1ccc(C2COC(CP(c3ccccc3)c3ccccc3)=N2)cc1
InChIInChI=1S/C22H20NOP/c1-4-10-18(11-5-1)21-16-24-22(23-21)17-25(19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15,21H,16-17H2
InChIKeyBQPACNSUAVUIGW-UHFFFAOYSA-N
MW345.38 g/mol
LogP4.29
Rot. Bonds5

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

diphenyl-[(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]phosphane (PubChem CID 6396282) has the molecular formula C22H20NOP and a molecular weight of 345.38 g/mol. Its IUPAC name is diphenyl-[(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]phosphane.

Molecular Properties

Compound Namediphenyl-[(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]phosphane
PubChem CID6396282
Molecular FormulaC22H20NOP
Molecular Weight345.38 g/mol
Exact Mass345.13
IUPAC Namediphenyl-[(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]phosphane
SMILESc1ccc(C2COC(CP(c3ccccc3)c3ccccc3)=N2)cc1
InChIInChI=1S/C22H20NOP/c1-4-10-18(11-5-1)21-16-24-22(23-21)17-25(19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15,21H,16-17H2
InChIKeyBQPACNSUAVUIGW-UHFFFAOYSA-N
XLogP4.29
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.38
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze diphenyl-[(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]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-[(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]phosphane?
The IUPAC name of diphenyl-[(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]phosphane (CID 6396282) is diphenyl-[(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]phosphane.
What is the SMILES notation for diphenyl-[(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]phosphane?
The canonical SMILES for diphenyl-[(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]phosphane is c1ccc(C2COC(CP(c3ccccc3)c3ccccc3)=N2)cc1.
What is the InChIKey of diphenyl-[(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]phosphane?
The InChIKey is BQPACNSUAVUIGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20NOP/c1-4-10-18(11-5-1)21-16-24-22(23-21)17-25(19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15,21H,16-17H2.
What are the key properties of diphenyl-[(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]phosphane?
diphenyl-[(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]phosphane has a molecular weight of 345.38 g/mol, XLogP of 4.29, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyl-[(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]phosphane is sourced from PubChem (CID 6396282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).