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'}

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Related Compounds

(S,S)-2,2'-Isopropylidenebis(4-phenyl-2-oxazoline)
CID 676388
Ph-box, (R,R)-
CID 676390
(S,S)-2,2'-Methylenebis(4-phenyl-2-oxazoline)
CID 736684
2,2'-(Propane-2,2-diyl)bis(4-phenyl-4,5-dihydrooxazole)
CID 3957686
(4R)-2-methyl-4-phenyl-4,5-dihydro-1,3-oxazole
CID 10931742
[2-[(4R)-2-benzhydryl-4,5-dihydro-1,3-oxazol-4-yl]phenyl]-diphenylphosphane
CID 12178028
Oxazole, 2-[2-(diphenylphosphino)phenyl]-4,5-dihydro-4-phenyl-
CID 4194921
(R)-(-)-2-[2-(Diphenylphosphino)phenyl]-4-phenyl-2-oxazoline
CID 9822657
(4S,4'S)-2,2'-(Cyclopropane-1,1-diyl)bis(4-phenyl-4,5-dihydrooxazole)
CID 10496806
Oxazole, 2-(1,1-dimethylethyl)-4,5-dihydro-4-phenyl-, (R)-
CID 11041847
(S)-(+)-2-[2-(Diphenylphosphino)phenyl]-4-phenyl-2-oxazoline
CID 11058621
(4S,4'S)-2,2'-(Pentane-3,3-diyl)bis(4-phenyl-4,5-dihydrooxazole)
CID 11365135

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).