(2-methyl-1,3-oxazol-4-yl)-triphenylphosphanium

C22H19NOP+ — CID 4206683

IUPAC(2-methyl-1,3-oxazol-4-yl)-triphenylphosphanium
SMILESCc1nc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)co1
InChIInChI=1S/C22H19NOP/c1-18-23-22(17-24-18)25(19-11-5-2-6-12-19,20-13-7-3-8-14-20)21-15-9-4-10-16-21/h2-17H,1H3/q+1
InChIKeyZJVSKJUDAHFHAO-UHFFFAOYSA-N
MW344.37 g/mol
LogP3.60
Rot. Bonds4

About (2-methyl-1,3-oxazol-4-yl)-triphenylphosphanium

(2-methyl-1,3-oxazol-4-yl)-triphenylphosphanium (PubChem CID 4206683) has the molecular formula C22H19NOP+ and a molecular weight of 344.37 g/mol. Its IUPAC name is (2-methyl-1,3-oxazol-4-yl)-triphenylphosphanium.

Molecular Properties

Compound Name(2-methyl-1,3-oxazol-4-yl)-triphenylphosphanium
PubChem CID4206683
Molecular FormulaC22H19NOP+
Molecular Weight344.37 g/mol
Exact Mass344.12
IUPAC Name(2-methyl-1,3-oxazol-4-yl)-triphenylphosphanium
SMILESCc1nc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)co1
InChIInChI=1S/C22H19NOP/c1-18-23-22(17-24-18)25(19-11-5-2-6-12-19,20-13-7-3-8-14-20)21-15-9-4-10-16-21/h2-17H,1H3/q+1
InChIKeyZJVSKJUDAHFHAO-UHFFFAOYSA-N
XLogP3.60
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 53.60
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

(5-Butylsulfanyl-2-methyl-1,3-oxazol-4-yl)-triphenylphosphanium
CID 3091239
[2-Methyl-5-(methylsulfanyl)-1,3-oxazol-4-yl](triphenyl)phosphonium
CID 3794660
(5-Ethylsulfanyl-2-methyl-1,3-oxazol-4-yl)-triphenylphosphanium iodide
CID 2830305
(2-Methyl-5-methylsulfanyl-oxazol-4-YL)-triphenyl-phosphonium, iodide
CID 126959217
(5-Dimethylamino-2-methyl-oxazol-4-YL)-triphenyl-phosphonium, perchlorate
CID 126959218
(5-Ethoxy-2-methyl-1,3-oxazol-4-yl)-triphenylphosphanium tetrafluoroborate
CID 44126775
(5-Ethoxy-2-ethyl-1,3-oxazol-4-yl)-triphenylphosphanium tetrafluoroborate
CID 44126970
(5-Methoxy-2-methyl-1,3-oxazol-4-yl)-triphenylphosphanium tetrafluoroborate
CID 44126972
2-(Fluoromethyl)-4-(triphenylphosphonio)-1,3-oxazole-5-thiolate
CID 3089965
[2-(Fluoromethyl)-5-methylsulfanyl-1,3-oxazol-4-yl]-triphenylphosphanium
CID 3303005
[5-(Dimethylamino)-2-methyl-1,3-oxazol-4-yl]-triphenylphosphanium
CID 3643263
[5-(Ethylsulfanyl)-2-(fluoromethyl)-1,3-oxazol-4-yl](triphenyl)phosphonium
CID 3695375

Frequently Asked Questions

What is the IUPAC name of (2-methyl-1,3-oxazol-4-yl)-triphenylphosphanium?
The IUPAC name of (2-methyl-1,3-oxazol-4-yl)-triphenylphosphanium (CID 4206683) is (2-methyl-1,3-oxazol-4-yl)-triphenylphosphanium.
What is the SMILES notation for (2-methyl-1,3-oxazol-4-yl)-triphenylphosphanium?
The canonical SMILES for (2-methyl-1,3-oxazol-4-yl)-triphenylphosphanium is Cc1nc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)co1.
What is the InChIKey of (2-methyl-1,3-oxazol-4-yl)-triphenylphosphanium?
The InChIKey is ZJVSKJUDAHFHAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NOP/c1-18-23-22(17-24-18)25(19-11-5-2-6-12-19,20-13-7-3-8-14-20)21-15-9-4-10-16-21/h2-17H,1H3/q+1.
What are the key properties of (2-methyl-1,3-oxazol-4-yl)-triphenylphosphanium?
(2-methyl-1,3-oxazol-4-yl)-triphenylphosphanium has a molecular weight of 344.37 g/mol, XLogP of 3.60, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-1,3-oxazol-4-yl)-triphenylphosphanium is sourced from PubChem (CID 4206683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).