(5-anilino-2-phenyl-1,3-oxazol-4-yl)-triphenylphosphanium

C33H26N2OP+ — CID 2830114

IUPAC(5-anilino-2-phenyl-1,3-oxazol-4-yl)-triphenylphosphanium
SMILESc1ccc(Nc2oc(-c3ccccc3)nc2[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C33H26N2OP/c1-6-16-26(17-7-1)31-35-33(32(36-31)34-27-18-8-2-9-19-27)37(28-20-10-3-11-21-28,29-22-12-4-13-23-29)30-24-14-5-15-25-30/h1-25,34H/q+1
InChIKeyUCRUXUSJZCEZTO-UHFFFAOYSA-N
MW497.56 g/mol
LogP6.70
Rot. Bonds7

About (5-anilino-2-phenyl-1,3-oxazol-4-yl)-triphenylphosphanium

(5-anilino-2-phenyl-1,3-oxazol-4-yl)-triphenylphosphanium (PubChem CID 2830114) has the molecular formula C33H26N2OP+ and a molecular weight of 497.56 g/mol. Its IUPAC name is (5-anilino-2-phenyl-1,3-oxazol-4-yl)-triphenylphosphanium.

Molecular Properties

Compound Name(5-anilino-2-phenyl-1,3-oxazol-4-yl)-triphenylphosphanium
PubChem CID2830114
Molecular FormulaC33H26N2OP+
Molecular Weight497.56 g/mol
Exact Mass497.18
IUPAC Name(5-anilino-2-phenyl-1,3-oxazol-4-yl)-triphenylphosphanium
SMILESc1ccc(Nc2oc(-c3ccccc3)nc2[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C33H26N2OP/c1-6-16-26(17-7-1)31-35-33(32(36-31)34-27-18-8-2-9-19-27)37(28-20-10-3-11-21-28,29-22-12-4-13-23-29)30-24-14-5-15-25-30/h1-25,34H/q+1
InChIKeyUCRUXUSJZCEZTO-UHFFFAOYSA-N
XLogP6.70
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.56
LogP ≤ 56.70
H-Bond Donors ≤ 51
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-anilino-2-phenyl-1,3-oxazol-4-yl)-triphenylphosphanium?
The IUPAC name of (5-anilino-2-phenyl-1,3-oxazol-4-yl)-triphenylphosphanium (CID 2830114) is (5-anilino-2-phenyl-1,3-oxazol-4-yl)-triphenylphosphanium.
What is the SMILES notation for (5-anilino-2-phenyl-1,3-oxazol-4-yl)-triphenylphosphanium?
The canonical SMILES for (5-anilino-2-phenyl-1,3-oxazol-4-yl)-triphenylphosphanium is c1ccc(Nc2oc(-c3ccccc3)nc2[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of (5-anilino-2-phenyl-1,3-oxazol-4-yl)-triphenylphosphanium?
The InChIKey is UCRUXUSJZCEZTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H26N2OP/c1-6-16-26(17-7-1)31-35-33(32(36-31)34-27-18-8-2-9-19-27)37(28-20-10-3-11-21-28,29-22-12-4-13-23-29)30-24-14-5-15-25-30/h1-25,34H/q+1.
What are the key properties of (5-anilino-2-phenyl-1,3-oxazol-4-yl)-triphenylphosphanium?
(5-anilino-2-phenyl-1,3-oxazol-4-yl)-triphenylphosphanium has a molecular weight of 497.56 g/mol, XLogP of 6.70, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-anilino-2-phenyl-1,3-oxazol-4-yl)-triphenylphosphanium is sourced from PubChem (CID 2830114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).