5-[[4-(3-acetamidophenyl)phenyl]methyl]-N-benzyl-1,3-oxazole-4-carboxamide

C26H23N3O3 — CID 24901437

IUPAC5-[[4-(3-acetamidophenyl)phenyl]methyl]-N-benzyl-1,3-oxazole-4-carboxamide
SMILESCC(=O)Nc1cccc(-c2ccc(Cc3ocnc3C(=O)NCc3ccccc3)cc2)c1
InChIInChI=1S/C26H23N3O3/c1-18(30)29-23-9-5-8-22(15-23)21-12-10-19(11-13-21)14-24-25(28-17-32-24)26(31)27-16-20-6-3-2-4-7-20/h2-13,15,17H,14,16H2,1H3,(H,27,31)(H,29,30)
InChIKeySEAZTZMUWJVBFD-UHFFFAOYSA-N
MW425.49 g/mol
LogP4.82
Rot. Bonds7

About 5-[[4-(3-acetamidophenyl)phenyl]methyl]-N-benzyl-1,3-oxazole-4-carboxamide

5-[[4-(3-acetamidophenyl)phenyl]methyl]-N-benzyl-1,3-oxazole-4-carboxamide (PubChem CID 24901437) has the molecular formula C26H23N3O3 and a molecular weight of 425.49 g/mol. Its IUPAC name is 5-[[4-(3-acetamidophenyl)phenyl]methyl]-N-benzyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-[[4-(3-acetamidophenyl)phenyl]methyl]-N-benzyl-1,3-oxazole-4-carboxamide
PubChem CID24901437
Molecular FormulaC26H23N3O3
Molecular Weight425.49 g/mol
Exact Mass425.17
IUPAC Name5-[[4-(3-acetamidophenyl)phenyl]methyl]-N-benzyl-1,3-oxazole-4-carboxamide
SMILESCC(=O)Nc1cccc(-c2ccc(Cc3ocnc3C(=O)NCc3ccccc3)cc2)c1
InChIInChI=1S/C26H23N3O3/c1-18(30)29-23-9-5-8-22(15-23)21-12-10-19(11-13-21)14-24-25(28-17-32-24)26(31)27-16-20-6-3-2-4-7-20/h2-13,15,17H,14,16H2,1H3,(H,27,31)(H,29,30)
InChIKeySEAZTZMUWJVBFD-UHFFFAOYSA-N
XLogP4.82
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-(3-acetamidophenyl)phenyl]methyl]-N-benzyl-1,3-oxazole-4-carboxamide?
The IUPAC name of 5-[[4-(3-acetamidophenyl)phenyl]methyl]-N-benzyl-1,3-oxazole-4-carboxamide (CID 24901437) is 5-[[4-(3-acetamidophenyl)phenyl]methyl]-N-benzyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 5-[[4-(3-acetamidophenyl)phenyl]methyl]-N-benzyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for 5-[[4-(3-acetamidophenyl)phenyl]methyl]-N-benzyl-1,3-oxazole-4-carboxamide is CC(=O)Nc1cccc(-c2ccc(Cc3ocnc3C(=O)NCc3ccccc3)cc2)c1.
What is the InChIKey of 5-[[4-(3-acetamidophenyl)phenyl]methyl]-N-benzyl-1,3-oxazole-4-carboxamide?
The InChIKey is SEAZTZMUWJVBFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O3/c1-18(30)29-23-9-5-8-22(15-23)21-12-10-19(11-13-21)14-24-25(28-17-32-24)26(31)27-16-20-6-3-2-4-7-20/h2-13,15,17H,14,16H2,1H3,(H,27,31)(H,29,30).
What are the key properties of 5-[[4-(3-acetamidophenyl)phenyl]methyl]-N-benzyl-1,3-oxazole-4-carboxamide?
5-[[4-(3-acetamidophenyl)phenyl]methyl]-N-benzyl-1,3-oxazole-4-carboxamide has a molecular weight of 425.49 g/mol, XLogP of 4.82, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(3-acetamidophenyl)phenyl]methyl]-N-benzyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 24901437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).