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

C24H24N2OP+ — CID 3643263

IUPAC[5-(dimethylamino)-2-methyl-1,3-oxazol-4-yl]-triphenylphosphanium
SMILESCc1nc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)c(N(C)C)o1
InChIInChI=1S/C24H24N2OP/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/h4-18H,1-3H3/q+1
InChIKeyDOWZZTKAUDZGPU-UHFFFAOYSA-N
MW387.44 g/mol
LogP3.67
Rot. Bonds5

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

[5-(dimethylamino)-2-methyl-1,3-oxazol-4-yl]-triphenylphosphanium (PubChem CID 3643263) has the molecular formula C24H24N2OP+ and a molecular weight of 387.44 g/mol. Its IUPAC name is [5-(dimethylamino)-2-methyl-1,3-oxazol-4-yl]-triphenylphosphanium.

Molecular Properties

Compound Name[5-(dimethylamino)-2-methyl-1,3-oxazol-4-yl]-triphenylphosphanium
PubChem CID3643263
Molecular FormulaC24H24N2OP+
Molecular Weight387.44 g/mol
Exact Mass387.16
IUPAC Name[5-(dimethylamino)-2-methyl-1,3-oxazol-4-yl]-triphenylphosphanium
SMILESCc1nc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)c(N(C)C)o1
InChIInChI=1S/C24H24N2OP/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/h4-18H,1-3H3/q+1
InChIKeyDOWZZTKAUDZGPU-UHFFFAOYSA-N
XLogP3.67
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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?
The IUPAC name of [5-(dimethylamino)-2-methyl-1,3-oxazol-4-yl]-triphenylphosphanium (CID 3643263) is [5-(dimethylamino)-2-methyl-1,3-oxazol-4-yl]-triphenylphosphanium.
What is the SMILES notation for [5-(dimethylamino)-2-methyl-1,3-oxazol-4-yl]-triphenylphosphanium?
The canonical SMILES for [5-(dimethylamino)-2-methyl-1,3-oxazol-4-yl]-triphenylphosphanium is Cc1nc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)c(N(C)C)o1.
What is the InChIKey of [5-(dimethylamino)-2-methyl-1,3-oxazol-4-yl]-triphenylphosphanium?
The InChIKey is DOWZZTKAUDZGPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2OP/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/h4-18H,1-3H3/q+1.
What are the key properties of [5-(dimethylamino)-2-methyl-1,3-oxazol-4-yl]-triphenylphosphanium?
[5-(dimethylamino)-2-methyl-1,3-oxazol-4-yl]-triphenylphosphanium has a molecular weight of 387.44 g/mol, XLogP of 3.67, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(dimethylamino)-2-methyl-1,3-oxazol-4-yl]-triphenylphosphanium is sourced from PubChem (CID 3643263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).