[5-(4-methylanilino)-2-phenyl-1,3-oxazol-4-yl]-triphenylphosphanium

C34H28N2OP+ — CID 4173124

IUPAC[5-(4-methylanilino)-2-phenyl-1,3-oxazol-4-yl]-triphenylphosphanium
SMILESCc1ccc(Nc2oc(-c3ccccc3)nc2[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C34H28N2OP/c1-26-22-24-28(25-23-26)35-33-34(36-32(37-33)27-14-6-2-7-15-27)38(29-16-8-3-9-17-29,30-18-10-4-11-19-30)31-20-12-5-13-21-31/h2-25,35H,1H3/q+1
InChIKeySBSYAWHNFQPVNP-UHFFFAOYSA-N
MW511.59 g/mol
LogP7.01
Rot. Bonds7

About [5-(4-methylanilino)-2-phenyl-1,3-oxazol-4-yl]-triphenylphosphanium

[5-(4-methylanilino)-2-phenyl-1,3-oxazol-4-yl]-triphenylphosphanium (PubChem CID 4173124) has the molecular formula C34H28N2OP+ and a molecular weight of 511.59 g/mol. Its IUPAC name is [5-(4-methylanilino)-2-phenyl-1,3-oxazol-4-yl]-triphenylphosphanium.

Molecular Properties

Compound Name[5-(4-methylanilino)-2-phenyl-1,3-oxazol-4-yl]-triphenylphosphanium
PubChem CID4173124
Molecular FormulaC34H28N2OP+
Molecular Weight511.59 g/mol
Exact Mass511.19
IUPAC Name[5-(4-methylanilino)-2-phenyl-1,3-oxazol-4-yl]-triphenylphosphanium
SMILESCc1ccc(Nc2oc(-c3ccccc3)nc2[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C34H28N2OP/c1-26-22-24-28(25-23-26)35-33-34(36-32(37-33)27-14-6-2-7-15-27)38(29-16-8-3-9-17-29,30-18-10-4-11-19-30)31-20-12-5-13-21-31/h2-25,35H,1H3/q+1
InChIKeySBSYAWHNFQPVNP-UHFFFAOYSA-N
XLogP7.01
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.59
LogP ≤ 57.01
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-(4-methylanilino)-2-phenyl-1,3-oxazol-4-yl]-triphenylphosphanium?
The IUPAC name of [5-(4-methylanilino)-2-phenyl-1,3-oxazol-4-yl]-triphenylphosphanium (CID 4173124) is [5-(4-methylanilino)-2-phenyl-1,3-oxazol-4-yl]-triphenylphosphanium.
What is the SMILES notation for [5-(4-methylanilino)-2-phenyl-1,3-oxazol-4-yl]-triphenylphosphanium?
The canonical SMILES for [5-(4-methylanilino)-2-phenyl-1,3-oxazol-4-yl]-triphenylphosphanium is Cc1ccc(Nc2oc(-c3ccccc3)nc2[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of [5-(4-methylanilino)-2-phenyl-1,3-oxazol-4-yl]-triphenylphosphanium?
The InChIKey is SBSYAWHNFQPVNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H28N2OP/c1-26-22-24-28(25-23-26)35-33-34(36-32(37-33)27-14-6-2-7-15-27)38(29-16-8-3-9-17-29,30-18-10-4-11-19-30)31-20-12-5-13-21-31/h2-25,35H,1H3/q+1.
What are the key properties of [5-(4-methylanilino)-2-phenyl-1,3-oxazol-4-yl]-triphenylphosphanium?
[5-(4-methylanilino)-2-phenyl-1,3-oxazol-4-yl]-triphenylphosphanium has a molecular weight of 511.59 g/mol, XLogP of 7.01, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-methylanilino)-2-phenyl-1,3-oxazol-4-yl]-triphenylphosphanium is sourced from PubChem (CID 4173124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).