[5-(dimethylamino)-2-methyl-1,3-oxazol-4-yl]-triphenylphosphanium;perchloric acid

C24H25ClN2O5P+ — CID 126959218

IUPAC[5-(dimethylamino)-2-methyl-1,3-oxazol-4-yl]-triphenylphosphanium;perchloric acid
SMILESCc1nc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)c(N(C)C)o1.[O-][Cl+3]([O-])([O-])O
InChIInChI=1S/C24H24N2OP.ClHO4/c1-19-25-23(24(27-19)26(2)3)28(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22;2-1(3,4)5/h4-18H,1-3H3;(H,2,3,4,5)/q+1;
InChIKeyMVRXKEVKPRSLIN-UHFFFAOYSA-N
MW487.90 g/mol
LogP-0.46
Rot. Bonds5

About [5-(dimethylamino)-2-methyl-1,3-oxazol-4-yl]-triphenylphosphanium;perchloric acid

[5-(dimethylamino)-2-methyl-1,3-oxazol-4-yl]-triphenylphosphanium;perchloric acid (PubChem CID 126959218) has the molecular formula C24H25ClN2O5P+ and a molecular weight of 487.90 g/mol. Its IUPAC name is [5-(dimethylamino)-2-methyl-1,3-oxazol-4-yl]-triphenylphosphanium;perchloric acid.

Molecular Properties

Compound Name[5-(dimethylamino)-2-methyl-1,3-oxazol-4-yl]-triphenylphosphanium;perchloric acid
PubChem CID126959218
Molecular FormulaC24H25ClN2O5P+
Molecular Weight487.90 g/mol
Exact Mass487.12
IUPAC Name[5-(dimethylamino)-2-methyl-1,3-oxazol-4-yl]-triphenylphosphanium;perchloric acid
SMILESCc1nc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)c(N(C)C)o1.[O-][Cl+3]([O-])([O-])O
InChIInChI=1S/C24H24N2OP.ClHO4/c1-19-25-23(24(27-19)26(2)3)28(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22;2-1(3,4)5/h4-18H,1-3H3;(H,2,3,4,5)/q+1;
InChIKeyMVRXKEVKPRSLIN-UHFFFAOYSA-N
XLogP-0.46
TPSA118.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.90
LogP ≤ 5-0.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-(dimethylamino)-2-methyl-1,3-oxazol-4-yl]-triphenylphosphanium;perchloric acid?
The IUPAC name of [5-(dimethylamino)-2-methyl-1,3-oxazol-4-yl]-triphenylphosphanium;perchloric acid (CID 126959218) is [5-(dimethylamino)-2-methyl-1,3-oxazol-4-yl]-triphenylphosphanium;perchloric acid.
What is the SMILES notation for [5-(dimethylamino)-2-methyl-1,3-oxazol-4-yl]-triphenylphosphanium;perchloric acid?
The canonical SMILES for [5-(dimethylamino)-2-methyl-1,3-oxazol-4-yl]-triphenylphosphanium;perchloric acid is Cc1nc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)c(N(C)C)o1.[O-][Cl+3]([O-])([O-])O.
What is the InChIKey of [5-(dimethylamino)-2-methyl-1,3-oxazol-4-yl]-triphenylphosphanium;perchloric acid?
The InChIKey is MVRXKEVKPRSLIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2OP.ClHO4/c1-19-25-23(24(27-19)26(2)3)28(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22;2-1(3,4)5/h4-18H,1-3H3;(H,2,3,4,5)/q+1;.
What are the key properties of [5-(dimethylamino)-2-methyl-1,3-oxazol-4-yl]-triphenylphosphanium;perchloric acid?
[5-(dimethylamino)-2-methyl-1,3-oxazol-4-yl]-triphenylphosphanium;perchloric acid has a molecular weight of 487.90 g/mol, XLogP of -0.46, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(dimethylamino)-2-methyl-1,3-oxazol-4-yl]-triphenylphosphanium;perchloric acid is sourced from PubChem (CID 126959218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).