2-benzhydryl-4-dimethoxyphosphoryl-N-(2-phenylethyl)-1,3-oxazol-5-amine

C26H27N2O4P — CID 18884221

IUPAC2-benzhydryl-4-dimethoxyphosphoryl-N-(2-phenylethyl)-1,3-oxazol-5-amine
SMILESCOP(=O)(OC)c1nc(C(c2ccccc2)c2ccccc2)oc1NCCc1ccccc1
InChIInChI=1S/C26H27N2O4P/c1-30-33(29,31-2)26-25(27-19-18-20-12-6-3-7-13-20)32-24(28-26)23(21-14-8-4-9-15-21)22-16-10-5-11-17-22/h3-17,23,27H,18-19H2,1-2H3
InChIKeyUVJRXNAHBDGLCV-UHFFFAOYSA-N
MW462.49 g/mol
LogP5.62
Rot. Bonds10

About 2-benzhydryl-4-dimethoxyphosphoryl-N-(2-phenylethyl)-1,3-oxazol-5-amine

2-benzhydryl-4-dimethoxyphosphoryl-N-(2-phenylethyl)-1,3-oxazol-5-amine (PubChem CID 18884221) has the molecular formula C26H27N2O4P and a molecular weight of 462.49 g/mol. Its IUPAC name is 2-benzhydryl-4-dimethoxyphosphoryl-N-(2-phenylethyl)-1,3-oxazol-5-amine.

Molecular Properties

Compound Name2-benzhydryl-4-dimethoxyphosphoryl-N-(2-phenylethyl)-1,3-oxazol-5-amine
PubChem CID18884221
Molecular FormulaC26H27N2O4P
Molecular Weight462.49 g/mol
Exact Mass462.17
IUPAC Name2-benzhydryl-4-dimethoxyphosphoryl-N-(2-phenylethyl)-1,3-oxazol-5-amine
SMILESCOP(=O)(OC)c1nc(C(c2ccccc2)c2ccccc2)oc1NCCc1ccccc1
InChIInChI=1S/C26H27N2O4P/c1-30-33(29,31-2)26-25(27-19-18-20-12-6-3-7-13-20)32-24(28-26)23(21-14-8-4-9-15-21)22-16-10-5-11-17-22/h3-17,23,27H,18-19H2,1-2H3
InChIKeyUVJRXNAHBDGLCV-UHFFFAOYSA-N
XLogP5.62
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.49
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-benzhydryl-4-dimethoxyphosphoryl-N-(2-phenylethyl)-1,3-oxazol-5-amine?
The IUPAC name of 2-benzhydryl-4-dimethoxyphosphoryl-N-(2-phenylethyl)-1,3-oxazol-5-amine (CID 18884221) is 2-benzhydryl-4-dimethoxyphosphoryl-N-(2-phenylethyl)-1,3-oxazol-5-amine.
What is the SMILES notation for 2-benzhydryl-4-dimethoxyphosphoryl-N-(2-phenylethyl)-1,3-oxazol-5-amine?
The canonical SMILES for 2-benzhydryl-4-dimethoxyphosphoryl-N-(2-phenylethyl)-1,3-oxazol-5-amine is COP(=O)(OC)c1nc(C(c2ccccc2)c2ccccc2)oc1NCCc1ccccc1.
What is the InChIKey of 2-benzhydryl-4-dimethoxyphosphoryl-N-(2-phenylethyl)-1,3-oxazol-5-amine?
The InChIKey is UVJRXNAHBDGLCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N2O4P/c1-30-33(29,31-2)26-25(27-19-18-20-12-6-3-7-13-20)32-24(28-26)23(21-14-8-4-9-15-21)22-16-10-5-11-17-22/h3-17,23,27H,18-19H2,1-2H3.
What are the key properties of 2-benzhydryl-4-dimethoxyphosphoryl-N-(2-phenylethyl)-1,3-oxazol-5-amine?
2-benzhydryl-4-dimethoxyphosphoryl-N-(2-phenylethyl)-1,3-oxazol-5-amine has a molecular weight of 462.49 g/mol, XLogP of 5.62, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzhydryl-4-dimethoxyphosphoryl-N-(2-phenylethyl)-1,3-oxazol-5-amine is sourced from PubChem (CID 18884221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).