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

C30H31ClN3O8P — CID 10865095

IUPAC[2-(morpholine-4-carbonyl)-5-morpholin-4-yl-1,3-oxazol-4-yl]-triphenylphosphanium perchlorate
SMILESO=C(c1nc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)c(N2CCOCC2)o1)N1CCOCC1.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=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
InChIKeyCLBFBZGUGKVPAR-UHFFFAOYSA-M
MW628.02 g/mol
LogP-2.15
Rot. Bonds6

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 CID10865095
Molecular FormulaC30H31ClN3O8P
Molecular Weight628.02 g/mol
Exact Mass627.15
IUPAC Name[2-(morpholine-4-carbonyl)-5-morpholin-4-yl-1,3-oxazol-4-yl]-triphenylphosphanium perchlorate
SMILESO=C(c1nc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)c(N2CCOCC2)o1)N1CCOCC1.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=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
InChIKeyCLBFBZGUGKVPAR-UHFFFAOYSA-M
XLogP-2.15
TPSA160.28 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500628.02
LogP ≤ 5-2.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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-(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).