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

C20H20N2O2 — CID 3286571

IUPAC5-methyl-3-phenyl-N-(3-phenylpropyl)-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2)c1C(=O)NCCCc1ccccc1
InChIInChI=1S/C20H20N2O2/c1-15-18(19(22-24-15)17-12-6-3-7-13-17)20(23)21-14-8-11-16-9-4-2-5-10-16/h2-7,9-10,12-13H,8,11,14H2,1H3,(H,21,23)
InChIKeyCJABHCAWOAYREG-UHFFFAOYSA-N
MW320.39 g/mol
LogP4.01
Rot. Bonds6

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

5-methyl-3-phenyl-N-(3-phenylpropyl)-1,2-oxazole-4-carboxamide (PubChem CID 3286571) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is 5-methyl-3-phenyl-N-(3-phenylpropyl)-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-3-phenyl-N-(3-phenylpropyl)-1,2-oxazole-4-carboxamide
PubChem CID3286571
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC Name5-methyl-3-phenyl-N-(3-phenylpropyl)-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2)c1C(=O)NCCCc1ccccc1
InChIInChI=1S/C20H20N2O2/c1-15-18(19(22-24-15)17-12-6-3-7-13-17)20(23)21-14-8-11-16-9-4-2-5-10-16/h2-7,9-10,12-13H,8,11,14H2,1H3,(H,21,23)
InChIKeyCJABHCAWOAYREG-UHFFFAOYSA-N
XLogP4.01
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 54.01
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-methyl-3-phenyl-N-(3-phenylpropyl)-1,2-oxazole-4-carboxamide?
The IUPAC name of 5-methyl-3-phenyl-N-(3-phenylpropyl)-1,2-oxazole-4-carboxamide (CID 3286571) is 5-methyl-3-phenyl-N-(3-phenylpropyl)-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 5-methyl-3-phenyl-N-(3-phenylpropyl)-1,2-oxazole-4-carboxamide?
The canonical SMILES for 5-methyl-3-phenyl-N-(3-phenylpropyl)-1,2-oxazole-4-carboxamide is Cc1onc(-c2ccccc2)c1C(=O)NCCCc1ccccc1.
What is the InChIKey of 5-methyl-3-phenyl-N-(3-phenylpropyl)-1,2-oxazole-4-carboxamide?
The InChIKey is CJABHCAWOAYREG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2/c1-15-18(19(22-24-15)17-12-6-3-7-13-17)20(23)21-14-8-11-16-9-4-2-5-10-16/h2-7,9-10,12-13H,8,11,14H2,1H3,(H,21,23).
What are the key properties of 5-methyl-3-phenyl-N-(3-phenylpropyl)-1,2-oxazole-4-carboxamide?
5-methyl-3-phenyl-N-(3-phenylpropyl)-1,2-oxazole-4-carboxamide has a molecular weight of 320.39 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-phenyl-N-(3-phenylpropyl)-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 3286571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).