[2-(2-chlorophenyl)-5-morpholin-4-yl-1,3-oxazol-4-yl]-triphenylphosphanium

C31H27ClN2O2P+ — CID 3089997

IUPAC[2-(2-chlorophenyl)-5-morpholin-4-yl-1,3-oxazol-4-yl]-triphenylphosphanium
SMILESClc1ccccc1-c1nc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)c(N2CCOCC2)o1
InChIInChI=1S/C31H27ClN2O2P/c32-28-19-11-10-18-27(28)29-33-30(31(36-29)34-20-22-35-23-21-34)37(24-12-4-1-5-13-24,25-14-6-2-7-15-25)26-16-8-3-9-17-26/h1-19H,20-23H2/q+1
InChIKeyCDGVSGVZYQQNOI-UHFFFAOYSA-N
MW526.00 g/mol
LogP5.45
Rot. Bonds6

About [2-(2-chlorophenyl)-5-morpholin-4-yl-1,3-oxazol-4-yl]-triphenylphosphanium

[2-(2-chlorophenyl)-5-morpholin-4-yl-1,3-oxazol-4-yl]-triphenylphosphanium (PubChem CID 3089997) has the molecular formula C31H27ClN2O2P+ and a molecular weight of 526.00 g/mol. Its IUPAC name is [2-(2-chlorophenyl)-5-morpholin-4-yl-1,3-oxazol-4-yl]-triphenylphosphanium.

Molecular Properties

Compound Name[2-(2-chlorophenyl)-5-morpholin-4-yl-1,3-oxazol-4-yl]-triphenylphosphanium
PubChem CID3089997
Molecular FormulaC31H27ClN2O2P+
Molecular Weight526.00 g/mol
Exact Mass525.15
IUPAC Name[2-(2-chlorophenyl)-5-morpholin-4-yl-1,3-oxazol-4-yl]-triphenylphosphanium
SMILESClc1ccccc1-c1nc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)c(N2CCOCC2)o1
InChIInChI=1S/C31H27ClN2O2P/c32-28-19-11-10-18-27(28)29-33-30(31(36-29)34-20-22-35-23-21-34)37(24-12-4-1-5-13-24,25-14-6-2-7-15-25)26-16-8-3-9-17-26/h1-19H,20-23H2/q+1
InChIKeyCDGVSGVZYQQNOI-UHFFFAOYSA-N
XLogP5.45
TPSA38.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.00
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-(2-chlorophenyl)-5-morpholin-4-yl-1,3-oxazol-4-yl]-triphenylphosphanium?
The IUPAC name of [2-(2-chlorophenyl)-5-morpholin-4-yl-1,3-oxazol-4-yl]-triphenylphosphanium (CID 3089997) is [2-(2-chlorophenyl)-5-morpholin-4-yl-1,3-oxazol-4-yl]-triphenylphosphanium.
What is the SMILES notation for [2-(2-chlorophenyl)-5-morpholin-4-yl-1,3-oxazol-4-yl]-triphenylphosphanium?
The canonical SMILES for [2-(2-chlorophenyl)-5-morpholin-4-yl-1,3-oxazol-4-yl]-triphenylphosphanium is Clc1ccccc1-c1nc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)c(N2CCOCC2)o1.
What is the InChIKey of [2-(2-chlorophenyl)-5-morpholin-4-yl-1,3-oxazol-4-yl]-triphenylphosphanium?
The InChIKey is CDGVSGVZYQQNOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H27ClN2O2P/c32-28-19-11-10-18-27(28)29-33-30(31(36-29)34-20-22-35-23-21-34)37(24-12-4-1-5-13-24,25-14-6-2-7-15-25)26-16-8-3-9-17-26/h1-19H,20-23H2/q+1.
What are the key properties of [2-(2-chlorophenyl)-5-morpholin-4-yl-1,3-oxazol-4-yl]-triphenylphosphanium?
[2-(2-chlorophenyl)-5-morpholin-4-yl-1,3-oxazol-4-yl]-triphenylphosphanium has a molecular weight of 526.00 g/mol, XLogP of 5.45, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-chlorophenyl)-5-morpholin-4-yl-1,3-oxazol-4-yl]-triphenylphosphanium is sourced from PubChem (CID 3089997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).