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

C20H19N3O3 — CID 24901449

IUPAC5-[[4-(3-acetamidophenyl)phenyl]methyl]-N-methyl-1,3-oxazole-4-carboxamide
SMILESCNC(=O)c1ncoc1Cc1ccc(-c2cccc(NC(C)=O)c2)cc1
InChIInChI=1S/C20H19N3O3/c1-13(24)23-17-5-3-4-16(11-17)15-8-6-14(7-9-15)10-18-19(20(25)21-2)22-12-26-18/h3-9,11-12H,10H2,1-2H3,(H,21,25)(H,23,24)
InChIKeyYSHIQHUFBZSPNT-UHFFFAOYSA-N
MW349.39 g/mol
LogP3.25
Rot. Bonds5

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

5-[[4-(3-acetamidophenyl)phenyl]methyl]-N-methyl-1,3-oxazole-4-carboxamide (PubChem CID 24901449) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is 5-[[4-(3-acetamidophenyl)phenyl]methyl]-N-methyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-[[4-(3-acetamidophenyl)phenyl]methyl]-N-methyl-1,3-oxazole-4-carboxamide
PubChem CID24901449
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC Name5-[[4-(3-acetamidophenyl)phenyl]methyl]-N-methyl-1,3-oxazole-4-carboxamide
SMILESCNC(=O)c1ncoc1Cc1ccc(-c2cccc(NC(C)=O)c2)cc1
InChIInChI=1S/C20H19N3O3/c1-13(24)23-17-5-3-4-16(11-17)15-8-6-14(7-9-15)10-18-19(20(25)21-2)22-12-26-18/h3-9,11-12H,10H2,1-2H3,(H,21,25)(H,23,24)
InChIKeyYSHIQHUFBZSPNT-UHFFFAOYSA-N
XLogP3.25
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 53.25
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-methyl-1,3-oxazole-4-carboxamide?
The IUPAC name of 5-[[4-(3-acetamidophenyl)phenyl]methyl]-N-methyl-1,3-oxazole-4-carboxamide (CID 24901449) is 5-[[4-(3-acetamidophenyl)phenyl]methyl]-N-methyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 5-[[4-(3-acetamidophenyl)phenyl]methyl]-N-methyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for 5-[[4-(3-acetamidophenyl)phenyl]methyl]-N-methyl-1,3-oxazole-4-carboxamide is CNC(=O)c1ncoc1Cc1ccc(-c2cccc(NC(C)=O)c2)cc1.
What is the InChIKey of 5-[[4-(3-acetamidophenyl)phenyl]methyl]-N-methyl-1,3-oxazole-4-carboxamide?
The InChIKey is YSHIQHUFBZSPNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3/c1-13(24)23-17-5-3-4-16(11-17)15-8-6-14(7-9-15)10-18-19(20(25)21-2)22-12-26-18/h3-9,11-12H,10H2,1-2H3,(H,21,25)(H,23,24).
What are the key properties of 5-[[4-(3-acetamidophenyl)phenyl]methyl]-N-methyl-1,3-oxazole-4-carboxamide?
5-[[4-(3-acetamidophenyl)phenyl]methyl]-N-methyl-1,3-oxazole-4-carboxamide has a molecular weight of 349.39 g/mol, XLogP of 3.25, 5 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-methyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 24901449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).