5-(4-phenylphenyl)-N-(3-phenylpropyl)-1,2-oxazole-3-carboxamide

C25H22N2O2 — CID 56669955

IUPAC5-(4-phenylphenyl)-N-(3-phenylpropyl)-1,2-oxazole-3-carboxamide
SMILESO=C(NCCCc1ccccc1)c1cc(-c2ccc(-c3ccccc3)cc2)on1
InChIInChI=1S/C25H22N2O2/c28-25(26-17-7-10-19-8-3-1-4-9-19)23-18-24(29-27-23)22-15-13-21(14-16-22)20-11-5-2-6-12-20/h1-6,8-9,11-16,18H,7,10,17H2,(H,26,28)
InChIKeySSLXDOYIMCJXKT-UHFFFAOYSA-N
MW382.46 g/mol
LogP5.37
Rot. Bonds7

About 5-(4-phenylphenyl)-N-(3-phenylpropyl)-1,2-oxazole-3-carboxamide

5-(4-phenylphenyl)-N-(3-phenylpropyl)-1,2-oxazole-3-carboxamide (PubChem CID 56669955) has the molecular formula C25H22N2O2 and a molecular weight of 382.46 g/mol. Its IUPAC name is 5-(4-phenylphenyl)-N-(3-phenylpropyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(4-phenylphenyl)-N-(3-phenylpropyl)-1,2-oxazole-3-carboxamide
PubChem CID56669955
Molecular FormulaC25H22N2O2
Molecular Weight382.46 g/mol
Exact Mass382.17
IUPAC Name5-(4-phenylphenyl)-N-(3-phenylpropyl)-1,2-oxazole-3-carboxamide
SMILESO=C(NCCCc1ccccc1)c1cc(-c2ccc(-c3ccccc3)cc2)on1
InChIInChI=1S/C25H22N2O2/c28-25(26-17-7-10-19-8-3-1-4-9-19)23-18-24(29-27-23)22-15-13-21(14-16-22)20-11-5-2-6-12-20/h1-6,8-9,11-16,18H,7,10,17H2,(H,26,28)
InChIKeySSLXDOYIMCJXKT-UHFFFAOYSA-N
XLogP5.37
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.46
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(4-phenylphenyl)-N-(3-phenylpropyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(4-phenylphenyl)-N-(3-phenylpropyl)-1,2-oxazole-3-carboxamide (CID 56669955) is 5-(4-phenylphenyl)-N-(3-phenylpropyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(4-phenylphenyl)-N-(3-phenylpropyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(4-phenylphenyl)-N-(3-phenylpropyl)-1,2-oxazole-3-carboxamide is O=C(NCCCc1ccccc1)c1cc(-c2ccc(-c3ccccc3)cc2)on1.
What is the InChIKey of 5-(4-phenylphenyl)-N-(3-phenylpropyl)-1,2-oxazole-3-carboxamide?
The InChIKey is SSLXDOYIMCJXKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O2/c28-25(26-17-7-10-19-8-3-1-4-9-19)23-18-24(29-27-23)22-15-13-21(14-16-22)20-11-5-2-6-12-20/h1-6,8-9,11-16,18H,7,10,17H2,(H,26,28).
What are the key properties of 5-(4-phenylphenyl)-N-(3-phenylpropyl)-1,2-oxazole-3-carboxamide?
5-(4-phenylphenyl)-N-(3-phenylpropyl)-1,2-oxazole-3-carboxamide has a molecular weight of 382.46 g/mol, XLogP of 5.37, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-phenylphenyl)-N-(3-phenylpropyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 56669955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).