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

C25H21N3O3 — CID 24901448

IUPAC5-[[4-(3-acetamidophenyl)phenyl]methyl]-N-phenyl-1,3-oxazole-4-carboxamide
SMILESCC(=O)Nc1cccc(-c2ccc(Cc3ocnc3C(=O)Nc3ccccc3)cc2)c1
InChIInChI=1S/C25H21N3O3/c1-17(29)27-22-9-5-6-20(15-22)19-12-10-18(11-13-19)14-23-24(26-16-31-23)25(30)28-21-7-3-2-4-8-21/h2-13,15-16H,14H2,1H3,(H,27,29)(H,28,30)
InChIKeyOGYYLECFXZOXKB-UHFFFAOYSA-N
MW411.46 g/mol
LogP5.14
Rot. Bonds6

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

5-[[4-(3-acetamidophenyl)phenyl]methyl]-N-phenyl-1,3-oxazole-4-carboxamide (PubChem CID 24901448) has the molecular formula C25H21N3O3 and a molecular weight of 411.46 g/mol. Its IUPAC name is 5-[[4-(3-acetamidophenyl)phenyl]methyl]-N-phenyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-[[4-(3-acetamidophenyl)phenyl]methyl]-N-phenyl-1,3-oxazole-4-carboxamide
PubChem CID24901448
Molecular FormulaC25H21N3O3
Molecular Weight411.46 g/mol
Exact Mass411.16
IUPAC Name5-[[4-(3-acetamidophenyl)phenyl]methyl]-N-phenyl-1,3-oxazole-4-carboxamide
SMILESCC(=O)Nc1cccc(-c2ccc(Cc3ocnc3C(=O)Nc3ccccc3)cc2)c1
InChIInChI=1S/C25H21N3O3/c1-17(29)27-22-9-5-6-20(15-22)19-12-10-18(11-13-19)14-23-24(26-16-31-23)25(30)28-21-7-3-2-4-8-21/h2-13,15-16H,14H2,1H3,(H,27,29)(H,28,30)
InChIKeyOGYYLECFXZOXKB-UHFFFAOYSA-N
XLogP5.14
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.46
LogP ≤ 55.14
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-phenyl-1,3-oxazole-4-carboxamide?
The IUPAC name of 5-[[4-(3-acetamidophenyl)phenyl]methyl]-N-phenyl-1,3-oxazole-4-carboxamide (CID 24901448) is 5-[[4-(3-acetamidophenyl)phenyl]methyl]-N-phenyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 5-[[4-(3-acetamidophenyl)phenyl]methyl]-N-phenyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for 5-[[4-(3-acetamidophenyl)phenyl]methyl]-N-phenyl-1,3-oxazole-4-carboxamide is CC(=O)Nc1cccc(-c2ccc(Cc3ocnc3C(=O)Nc3ccccc3)cc2)c1.
What is the InChIKey of 5-[[4-(3-acetamidophenyl)phenyl]methyl]-N-phenyl-1,3-oxazole-4-carboxamide?
The InChIKey is OGYYLECFXZOXKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O3/c1-17(29)27-22-9-5-6-20(15-22)19-12-10-18(11-13-19)14-23-24(26-16-31-23)25(30)28-21-7-3-2-4-8-21/h2-13,15-16H,14H2,1H3,(H,27,29)(H,28,30).
What are the key properties of 5-[[4-(3-acetamidophenyl)phenyl]methyl]-N-phenyl-1,3-oxazole-4-carboxamide?
5-[[4-(3-acetamidophenyl)phenyl]methyl]-N-phenyl-1,3-oxazole-4-carboxamide has a molecular weight of 411.46 g/mol, XLogP of 5.14, 6 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-phenyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 24901448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).