(4-benzyl-4,5-dihydro-1,3-oxazol-2-yl)methyl-methyl-diphenylphosphanium

C24H25NOP+ — CID 91223463

IUPAC(4-benzyl-4,5-dihydro-1,3-oxazol-2-yl)methyl-methyl-diphenylphosphanium
SMILESC[P+](CC1=NC(Cc2ccccc2)CO1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H25NOP/c1-27(22-13-7-3-8-14-22,23-15-9-4-10-16-23)19-24-25-21(18-26-24)17-20-11-5-2-6-12-20/h2-16,21H,17-19H2,1H3/q+1
InChIKeyWAEUOXUNDIQPER-UHFFFAOYSA-N
MW374.44 g/mol
LogP4.32
Rot. Bonds6

About (4-benzyl-4,5-dihydro-1,3-oxazol-2-yl)methyl-methyl-diphenylphosphanium

(4-benzyl-4,5-dihydro-1,3-oxazol-2-yl)methyl-methyl-diphenylphosphanium (PubChem CID 91223463) has the molecular formula C24H25NOP+ and a molecular weight of 374.44 g/mol. Its IUPAC name is (4-benzyl-4,5-dihydro-1,3-oxazol-2-yl)methyl-methyl-diphenylphosphanium.

Molecular Properties

Compound Name(4-benzyl-4,5-dihydro-1,3-oxazol-2-yl)methyl-methyl-diphenylphosphanium
PubChem CID91223463
Molecular FormulaC24H25NOP+
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC Name(4-benzyl-4,5-dihydro-1,3-oxazol-2-yl)methyl-methyl-diphenylphosphanium
SMILESC[P+](CC1=NC(Cc2ccccc2)CO1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H25NOP/c1-27(22-13-7-3-8-14-22,23-15-9-4-10-16-23)19-24-25-21(18-26-24)17-20-11-5-2-6-12-20/h2-16,21H,17-19H2,1H3/q+1
InChIKeyWAEUOXUNDIQPER-UHFFFAOYSA-N
XLogP4.32
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 54.32
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)-4,4'-Dibenzyl-2,2'-bi(2-oxazoline)
CID 697622
AG-H-02521
CID 5325154
(+)-2,2'-Isopropylidenebis[(4R)-4-benzyl-2-oxazoline]
CID 10981320
(4S,4'S)-2,2'-(Pentane-3,3'-diyl)bis(4-benzyl-4,5-dihydrooxazole)
CID 10960121
(4S)-4-benzyl-2-[(E)-2-phenylethenyl]-4,5-dihydro-1,3-oxazole
CID 102142832
rel-(R,S)-4,4'-DiBenzyl-4,4',5,5'-tetrahydro-2,2'-bioxazole
CID 697917
4,4'-DiBenzyl-4,4',5,5'-tetrahydro-2,2'-bioxazole
CID 3782418
4-Benzyl-2-methyl-4,5-dihydro-1,3-oxazole
CID 4692621
(4S)-2-[(4S)-4-benzyl(1,3-oxazolin-2-yl)]-4-benzyl-1,3-oxazoline
CID 6732838
2,2'-Bis[(4R)-4-Benzyl-2-Oxazoline]
CID 697920
(R(R*,R*))-(+)-2,2'-(isopropylidenebis(4-benzyl-2-oxazoline)
CID 4660577
2,2'-Methylenebis((4S)-4-benzyl-4,5-dihydro-2-oxazole)
CID 11028000

Frequently Asked Questions

What is the IUPAC name of (4-benzyl-4,5-dihydro-1,3-oxazol-2-yl)methyl-methyl-diphenylphosphanium?
The IUPAC name of (4-benzyl-4,5-dihydro-1,3-oxazol-2-yl)methyl-methyl-diphenylphosphanium (CID 91223463) is (4-benzyl-4,5-dihydro-1,3-oxazol-2-yl)methyl-methyl-diphenylphosphanium.
What is the SMILES notation for (4-benzyl-4,5-dihydro-1,3-oxazol-2-yl)methyl-methyl-diphenylphosphanium?
The canonical SMILES for (4-benzyl-4,5-dihydro-1,3-oxazol-2-yl)methyl-methyl-diphenylphosphanium is C[P+](CC1=NC(Cc2ccccc2)CO1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (4-benzyl-4,5-dihydro-1,3-oxazol-2-yl)methyl-methyl-diphenylphosphanium?
The InChIKey is WAEUOXUNDIQPER-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NOP/c1-27(22-13-7-3-8-14-22,23-15-9-4-10-16-23)19-24-25-21(18-26-24)17-20-11-5-2-6-12-20/h2-16,21H,17-19H2,1H3/q+1.
What are the key properties of (4-benzyl-4,5-dihydro-1,3-oxazol-2-yl)methyl-methyl-diphenylphosphanium?
(4-benzyl-4,5-dihydro-1,3-oxazol-2-yl)methyl-methyl-diphenylphosphanium has a molecular weight of 374.44 g/mol, XLogP of 4.32, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzyl-4,5-dihydro-1,3-oxazol-2-yl)methyl-methyl-diphenylphosphanium is sourced from PubChem (CID 91223463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).