4,5-dihydro-1,3-oxazol-2-ylmethyl(triphenyl)phosphanium chloride

C22H21ClNOP — CID 122585897

IUPAC4,5-dihydro-1,3-oxazol-2-ylmethyl(triphenyl)phosphanium chloride
SMILES[Cl-].c1ccc([P+](CC2=NCCO2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C22H21NOP.ClH/c1-4-10-19(11-5-1)25(18-22-23-16-17-24-22,20-12-6-2-7-13-20)21-14-8-3-9-15-21;/h1-15H,16-18H2;1H/q+1;/p-1
InChIKeyASOBIFIVAQFKDX-UHFFFAOYSA-M
MW381.84 g/mol
LogP0.41
Rot. Bonds5

About 4,5-dihydro-1,3-oxazol-2-ylmethyl(triphenyl)phosphanium chloride

4,5-dihydro-1,3-oxazol-2-ylmethyl(triphenyl)phosphanium chloride (PubChem CID 122585897) has the molecular formula C22H21ClNOP and a molecular weight of 381.84 g/mol. Its IUPAC name is 4,5-dihydro-1,3-oxazol-2-ylmethyl(triphenyl)phosphanium chloride.

Molecular Properties

Compound Name4,5-dihydro-1,3-oxazol-2-ylmethyl(triphenyl)phosphanium chloride
PubChem CID122585897
Molecular FormulaC22H21ClNOP
Molecular Weight381.84 g/mol
Exact Mass381.10
IUPAC Name4,5-dihydro-1,3-oxazol-2-ylmethyl(triphenyl)phosphanium chloride
SMILES[Cl-].c1ccc([P+](CC2=NCCO2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C22H21NOP.ClH/c1-4-10-19(11-5-1)25(18-22-23-16-17-24-22,20-12-6-2-7-13-20)21-14-8-3-9-15-21;/h1-15H,16-18H2;1H/q+1;/p-1
InChIKeyASOBIFIVAQFKDX-UHFFFAOYSA-M
XLogP0.41
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.84
LogP ≤ 50.41
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 4,5-dihydro-1,3-oxazol-2-ylmethyl(triphenyl)phosphanium chloride?
The IUPAC name of 4,5-dihydro-1,3-oxazol-2-ylmethyl(triphenyl)phosphanium chloride (CID 122585897) is 4,5-dihydro-1,3-oxazol-2-ylmethyl(triphenyl)phosphanium chloride.
What is the SMILES notation for 4,5-dihydro-1,3-oxazol-2-ylmethyl(triphenyl)phosphanium chloride?
The canonical SMILES for 4,5-dihydro-1,3-oxazol-2-ylmethyl(triphenyl)phosphanium chloride is [Cl-].c1ccc([P+](CC2=NCCO2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 4,5-dihydro-1,3-oxazol-2-ylmethyl(triphenyl)phosphanium chloride?
The InChIKey is ASOBIFIVAQFKDX-UHFFFAOYSA-M. The full InChI is InChI=1S/C22H21NOP.ClH/c1-4-10-19(11-5-1)25(18-22-23-16-17-24-22,20-12-6-2-7-13-20)21-14-8-3-9-15-21;/h1-15H,16-18H2;1H/q+1;/p-1.
What are the key properties of 4,5-dihydro-1,3-oxazol-2-ylmethyl(triphenyl)phosphanium chloride?
4,5-dihydro-1,3-oxazol-2-ylmethyl(triphenyl)phosphanium chloride has a molecular weight of 381.84 g/mol, XLogP of 0.41, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dihydro-1,3-oxazol-2-ylmethyl(triphenyl)phosphanium chloride is sourced from PubChem (CID 122585897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).