N-benzyl-4-diphenylphosphoryl-2-phenyl-1,3-oxazol-5-amine

C28H23N2O2P — CID 5077149

IUPACN-benzyl-4-diphenylphosphoryl-2-phenyl-1,3-oxazol-5-amine
SMILESO=P(c1ccccc1)(c1ccccc1)c1nc(-c2ccccc2)oc1NCc1ccccc1
InChIInChI=1S/C28H23N2O2P/c31-33(24-17-9-3-10-18-24,25-19-11-4-12-20-25)28-27(29-21-22-13-5-1-6-14-22)32-26(30-28)23-15-7-2-8-16-23/h1-20,29H,21H2
InChIKeyRRUYDQVJSRLSBM-UHFFFAOYSA-N
MW450.48 g/mol
LogP5.59
Rot. Bonds7

About N-benzyl-4-diphenylphosphoryl-2-phenyl-1,3-oxazol-5-amine

N-benzyl-4-diphenylphosphoryl-2-phenyl-1,3-oxazol-5-amine (PubChem CID 5077149) has the molecular formula C28H23N2O2P and a molecular weight of 450.48 g/mol. Its IUPAC name is N-benzyl-4-diphenylphosphoryl-2-phenyl-1,3-oxazol-5-amine.

Molecular Properties

Compound NameN-benzyl-4-diphenylphosphoryl-2-phenyl-1,3-oxazol-5-amine
PubChem CID5077149
Molecular FormulaC28H23N2O2P
Molecular Weight450.48 g/mol
Exact Mass450.15
IUPAC NameN-benzyl-4-diphenylphosphoryl-2-phenyl-1,3-oxazol-5-amine
SMILESO=P(c1ccccc1)(c1ccccc1)c1nc(-c2ccccc2)oc1NCc1ccccc1
InChIInChI=1S/C28H23N2O2P/c31-33(24-17-9-3-10-18-24,25-19-11-4-12-20-25)28-27(29-21-22-13-5-1-6-14-22)32-26(30-28)23-15-7-2-8-16-23/h1-20,29H,21H2
InChIKeyRRUYDQVJSRLSBM-UHFFFAOYSA-N
XLogP5.59
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.48
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-diphenylphosphoryl-2-phenyl-1,3-oxazol-5-amine?
The IUPAC name of N-benzyl-4-diphenylphosphoryl-2-phenyl-1,3-oxazol-5-amine (CID 5077149) is N-benzyl-4-diphenylphosphoryl-2-phenyl-1,3-oxazol-5-amine.
What is the SMILES notation for N-benzyl-4-diphenylphosphoryl-2-phenyl-1,3-oxazol-5-amine?
The canonical SMILES for N-benzyl-4-diphenylphosphoryl-2-phenyl-1,3-oxazol-5-amine is O=P(c1ccccc1)(c1ccccc1)c1nc(-c2ccccc2)oc1NCc1ccccc1.
What is the InChIKey of N-benzyl-4-diphenylphosphoryl-2-phenyl-1,3-oxazol-5-amine?
The InChIKey is RRUYDQVJSRLSBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23N2O2P/c31-33(24-17-9-3-10-18-24,25-19-11-4-12-20-25)28-27(29-21-22-13-5-1-6-14-22)32-26(30-28)23-15-7-2-8-16-23/h1-20,29H,21H2.
What are the key properties of N-benzyl-4-diphenylphosphoryl-2-phenyl-1,3-oxazol-5-amine?
N-benzyl-4-diphenylphosphoryl-2-phenyl-1,3-oxazol-5-amine has a molecular weight of 450.48 g/mol, XLogP of 5.59, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-diphenylphosphoryl-2-phenyl-1,3-oxazol-5-amine is sourced from PubChem (CID 5077149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).