(5-morpholin-4-yl-2-phenyl-1,3-oxazol-4-yl)-triphenylphosphanium;perchloric acid

C31H29ClN2O6P+ — CID 126959151

IUPAC(5-morpholin-4-yl-2-phenyl-1,3-oxazol-4-yl)-triphenylphosphanium;perchloric acid
SMILES[O-][Cl+3]([O-])([O-])O.c1ccc(-c2nc([P+](c3ccccc3)(c3ccccc3)c3ccccc3)c(N3CCOCC3)o2)cc1
InChIInChI=1S/C31H28N2O2P.ClHO4/c1-5-13-25(14-6-1)29-32-30(31(35-29)33-21-23-34-24-22-33)36(26-15-7-2-8-16-26,27-17-9-3-10-18-27)28-19-11-4-12-20-28;2-1(3,4)5/h1-20H,21-24H2;(H,2,3,4,5)/q+1;
InChIKeyRBCKODSTWQGRJN-UHFFFAOYSA-N
MW592.01 g/mol
LogP0.67
Rot. Bonds6

About (5-morpholin-4-yl-2-phenyl-1,3-oxazol-4-yl)-triphenylphosphanium;perchloric acid

(5-morpholin-4-yl-2-phenyl-1,3-oxazol-4-yl)-triphenylphosphanium;perchloric acid (PubChem CID 126959151) has the molecular formula C31H29ClN2O6P+ and a molecular weight of 592.01 g/mol. Its IUPAC name is (5-morpholin-4-yl-2-phenyl-1,3-oxazol-4-yl)-triphenylphosphanium;perchloric acid.

Molecular Properties

Compound Name(5-morpholin-4-yl-2-phenyl-1,3-oxazol-4-yl)-triphenylphosphanium;perchloric acid
PubChem CID126959151
Molecular FormulaC31H29ClN2O6P+
Molecular Weight592.01 g/mol
Exact Mass591.14
IUPAC Name(5-morpholin-4-yl-2-phenyl-1,3-oxazol-4-yl)-triphenylphosphanium;perchloric acid
SMILES[O-][Cl+3]([O-])([O-])O.c1ccc(-c2nc([P+](c3ccccc3)(c3ccccc3)c3ccccc3)c(N3CCOCC3)o2)cc1
InChIInChI=1S/C31H28N2O2P.ClHO4/c1-5-13-25(14-6-1)29-32-30(31(35-29)33-21-23-34-24-22-33)36(26-15-7-2-8-16-26,27-17-9-3-10-18-27)28-19-11-4-12-20-28;2-1(3,4)5/h1-20H,21-24H2;(H,2,3,4,5)/q+1;
InChIKeyRBCKODSTWQGRJN-UHFFFAOYSA-N
XLogP0.67
TPSA127.91 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500592.01
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5-morpholin-4-yl-2-phenyl-1,3-oxazol-4-yl)-triphenylphosphanium;perchloric acid?
The IUPAC name of (5-morpholin-4-yl-2-phenyl-1,3-oxazol-4-yl)-triphenylphosphanium;perchloric acid (CID 126959151) is (5-morpholin-4-yl-2-phenyl-1,3-oxazol-4-yl)-triphenylphosphanium;perchloric acid.
What is the SMILES notation for (5-morpholin-4-yl-2-phenyl-1,3-oxazol-4-yl)-triphenylphosphanium;perchloric acid?
The canonical SMILES for (5-morpholin-4-yl-2-phenyl-1,3-oxazol-4-yl)-triphenylphosphanium;perchloric acid is [O-][Cl+3]([O-])([O-])O.c1ccc(-c2nc([P+](c3ccccc3)(c3ccccc3)c3ccccc3)c(N3CCOCC3)o2)cc1.
What is the InChIKey of (5-morpholin-4-yl-2-phenyl-1,3-oxazol-4-yl)-triphenylphosphanium;perchloric acid?
The InChIKey is RBCKODSTWQGRJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28N2O2P.ClHO4/c1-5-13-25(14-6-1)29-32-30(31(35-29)33-21-23-34-24-22-33)36(26-15-7-2-8-16-26,27-17-9-3-10-18-27)28-19-11-4-12-20-28;2-1(3,4)5/h1-20H,21-24H2;(H,2,3,4,5)/q+1;.
What are the key properties of (5-morpholin-4-yl-2-phenyl-1,3-oxazol-4-yl)-triphenylphosphanium;perchloric acid?
(5-morpholin-4-yl-2-phenyl-1,3-oxazol-4-yl)-triphenylphosphanium;perchloric acid has a molecular weight of 592.01 g/mol, XLogP of 0.67, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (5-morpholin-4-yl-2-phenyl-1,3-oxazol-4-yl)-triphenylphosphanium;perchloric acid is sourced from PubChem (CID 126959151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).