[2-(morpholine-4-carbonyl)-5-morpholin-4-yl-1,3-oxazol-4-yl]-triphenylphosphanium perchlorate

C30H31ClN3O8P — CID 10865095

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

[2-(morpholine-4-carbonyl)-5-morpholin-4-yl-1,3-oxazol-4-yl]-triphenylphosphanium perchlorate (PubChem CID 10865095) has the molecular formula C30H31ClN3O8P and a molecular weight of 628.02 g/mol. Its IUPAC name is [2-(morpholine-4-carbonyl)-5-morpholin-4-yl-1,3-oxazol-4-yl]-triphenylphosphanium perchlorate.

Molecular Properties

• Compound Name: [2-(morpholine-4-carbonyl)-5-morpholin-4-yl-1,3-oxazol-4-yl]-triphenylphosphanium perchlorate
• PubChem CID: 10865095
• Molecular Formula: C30H31ClN3O8P
• Molecular Weight: 628.02 g/mol
• Exact Mass: 627.15
• IUPAC Name: [2-(morpholine-4-carbonyl)-5-morpholin-4-yl-1,3-oxazol-4-yl]-triphenylphosphanium perchlorate
• SMILES: O=C(c1nc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)c(N2CCOCC2)o1)N1CCOCC1.[O-][Cl+3]([O-])([O-])[O-]
• InChI: InChI=1S/C30H31N3O4P.ClHO4/c34-29(32-16-20-35-21-17-32)27-31-28(30(37-27)33-18-22-36-23-19-33)38(24-10-4-1-5-11-24,25-12-6-2-7-13-25)26-14-8-3-9-15-26;2-1(3,4)5/h1-15H,16-23H2;(H,2,3,4,5)/q+1;/p-1
• InChIKey: CLBFBZGUGKVPAR-UHFFFAOYSA-M
• XLogP: -2.15
• TPSA: 160.28 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	628.02
LogP ≤ 5	-2.15
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [2-(morpholine-4-carbonyl)-5-morpholin-4-yl-1,3-oxazol-4-yl]-triphenylphosphanium perchlorate?

The IUPAC name of [2-(morpholine-4-carbonyl)-5-morpholin-4-yl-1,3-oxazol-4-yl]-triphenylphosphanium perchlorate (CID 10865095) is [2-(morpholine-4-carbonyl)-5-morpholin-4-yl-1,3-oxazol-4-yl]-triphenylphosphanium perchlorate.

What is the SMILES notation for [2-(morpholine-4-carbonyl)-5-morpholin-4-yl-1,3-oxazol-4-yl]-triphenylphosphanium perchlorate?

The canonical SMILES for [2-(morpholine-4-carbonyl)-5-morpholin-4-yl-1,3-oxazol-4-yl]-triphenylphosphanium perchlorate is O=C(c1nc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)c(N2CCOCC2)o1)N1CCOCC1.[O-][Cl+3]([O-])([O-])[O-].

What is the InChIKey of [2-(morpholine-4-carbonyl)-5-morpholin-4-yl-1,3-oxazol-4-yl]-triphenylphosphanium perchlorate?

The InChIKey is CLBFBZGUGKVPAR-UHFFFAOYSA-M. The full InChI is InChI=1S/C30H31N3O4P.ClHO4/c34-29(32-16-20-35-21-17-32)27-31-28(30(37-27)33-18-22-36-23-19-33)38(24-10-4-1-5-11-24,25-12-6-2-7-13-25)26-14-8-3-9-15-26;2-1(3,4)5/h1-15H,16-23H2;(H,2,3,4,5)/q+1;/p-1.

What are the key properties of [2-(morpholine-4-carbonyl)-5-morpholin-4-yl-1,3-oxazol-4-yl]-triphenylphosphanium perchlorate?

[2-(morpholine-4-carbonyl)-5-morpholin-4-yl-1,3-oxazol-4-yl]-triphenylphosphanium perchlorate has a molecular weight of 628.02 g/mol, XLogP of -2.15, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for [2-(morpholine-4-carbonyl)-5-morpholin-4-yl-1,3-oxazol-4-yl]-triphenylphosphanium perchlorate is sourced from PubChem (CID 10865095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).