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

C24H23ClNOP — CID 23076591

IUPAC(2-ethyl-1,3-oxazol-4-yl)methyl-triphenylphosphanium chloride
SMILESCCc1nc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)co1.[Cl-]
InChIInChI=1S/C24H23NOP.ClH/c1-2-24-25-20(18-26-24)19-27(21-12-6-3-7-13-21,22-14-8-4-9-15-22)23-16-10-5-11-17-23;/h3-18H,2,19H2,1H3;1H/q+1;/p-1
InChIKeyZFULWBRTIOOAFM-UHFFFAOYSA-M
MW407.88 g/mol
LogP1.74
Rot. Bonds6

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

(2-ethyl-1,3-oxazol-4-yl)methyl-triphenylphosphanium chloride (PubChem CID 23076591) has the molecular formula C24H23ClNOP and a molecular weight of 407.88 g/mol. Its IUPAC name is (2-ethyl-1,3-oxazol-4-yl)methyl-triphenylphosphanium chloride.

Molecular Properties

Compound Name(2-ethyl-1,3-oxazol-4-yl)methyl-triphenylphosphanium chloride
PubChem CID23076591
Molecular FormulaC24H23ClNOP
Molecular Weight407.88 g/mol
Exact Mass407.12
IUPAC Name(2-ethyl-1,3-oxazol-4-yl)methyl-triphenylphosphanium chloride
SMILESCCc1nc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)co1.[Cl-]
InChIInChI=1S/C24H23NOP.ClH/c1-2-24-25-20(18-26-24)19-27(21-12-6-3-7-13-21,22-14-8-4-9-15-22)23-16-10-5-11-17-23;/h3-18H,2,19H2,1H3;1H/q+1;/p-1
InChIKeyZFULWBRTIOOAFM-UHFFFAOYSA-M
XLogP1.74
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.88
LogP ≤ 51.74
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 (2-ethyl-1,3-oxazol-4-yl)methyl-triphenylphosphanium chloride?
The IUPAC name of (2-ethyl-1,3-oxazol-4-yl)methyl-triphenylphosphanium chloride (CID 23076591) is (2-ethyl-1,3-oxazol-4-yl)methyl-triphenylphosphanium chloride.
What is the SMILES notation for (2-ethyl-1,3-oxazol-4-yl)methyl-triphenylphosphanium chloride?
The canonical SMILES for (2-ethyl-1,3-oxazol-4-yl)methyl-triphenylphosphanium chloride is CCc1nc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)co1.[Cl-].
What is the InChIKey of (2-ethyl-1,3-oxazol-4-yl)methyl-triphenylphosphanium chloride?
The InChIKey is ZFULWBRTIOOAFM-UHFFFAOYSA-M. The full InChI is InChI=1S/C24H23NOP.ClH/c1-2-24-25-20(18-26-24)19-27(21-12-6-3-7-13-21,22-14-8-4-9-15-22)23-16-10-5-11-17-23;/h3-18H,2,19H2,1H3;1H/q+1;/p-1.
What are the key properties of (2-ethyl-1,3-oxazol-4-yl)methyl-triphenylphosphanium chloride?
(2-ethyl-1,3-oxazol-4-yl)methyl-triphenylphosphanium chloride has a molecular weight of 407.88 g/mol, XLogP of 1.74, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-1,3-oxazol-4-yl)methyl-triphenylphosphanium chloride is sourced from PubChem (CID 23076591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).