3-[[5-(2-amino-1-phenylpropan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N-[(2-methyl-1,3-oxazol-4-yl)methyl]-5-(1,3-oxazol-2-yl)benzamide

C27H26N6O4 — CID 123639148

About 3-[[5-(2-amino-1-phenylpropan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N-[(2-methyl-1,3-oxazol-4-yl)methyl]-5-(1,3-oxazol-2-yl)benzamide

3-[[5-(2-amino-1-phenylpropan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N-[(2-methyl-1,3-oxazol-4-yl)methyl]-5-(1,3-oxazol-2-yl)benzamide (PubChem CID 123639148) has the molecular formula C27H26N6O4 and a molecular weight of 498.54 g/mol. Its IUPAC name is 3-[[5-(2-amino-1-phenylpropan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N-[(2-methyl-1,3-oxazol-4-yl)methyl]-5-(1,3-oxazol-2-yl)benzamide.

Molecular Properties

• Compound Name: 3-[[5-(2-amino-1-phenylpropan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N-[(2-methyl-1,3-oxazol-4-yl)methyl]-5-(1,3-oxazol-2-yl)benzamide
• PubChem CID: 123639148
• Molecular Formula: C27H26N6O4
• Molecular Weight: 498.54 g/mol
• Exact Mass: 498.20
• IUPAC Name: 3-[[5-(2-amino-1-phenylpropan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N-[(2-methyl-1,3-oxazol-4-yl)methyl]-5-(1,3-oxazol-2-yl)benzamide
• SMILES: Cc1nc(CNC(=O)c2cc(Cc3nnc(C(C)(N)Cc4ccccc4)o3)cc(-c3ncco3)c2)co1
• InChI: InChI=1S/C27H26N6O4/c1-17-31-22(16-36-17)15-30-24(34)20-10-19(11-21(13-20)25-29-8-9-35-25)12-23-32-33-26(37-23)27(2,28)14-18-6-4-3-5-7-18/h3-11,13,16H,12,14-15,28H2,1-2H3,(H,30,34)
• InChIKey: XFNAMBMXPOXKAO-UHFFFAOYSA-N
• XLogP: 3.96
• TPSA: 146.10 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	498.54
LogP ≤ 5	3.96
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 3-[[5-(2-amino-1-phenylpropan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N-[(2-methyl-1,3-oxazol-4-yl)methyl]-5-(1,3-oxazol-2-yl)benzamide?

The IUPAC name of 3-[[5-(2-amino-1-phenylpropan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N-[(2-methyl-1,3-oxazol-4-yl)methyl]-5-(1,3-oxazol-2-yl)benzamide (CID 123639148) is 3-[[5-(2-amino-1-phenylpropan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N-[(2-methyl-1,3-oxazol-4-yl)methyl]-5-(1,3-oxazol-2-yl)benzamide.

What is the SMILES notation for 3-[[5-(2-amino-1-phenylpropan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N-[(2-methyl-1,3-oxazol-4-yl)methyl]-5-(1,3-oxazol-2-yl)benzamide?

The canonical SMILES for 3-[[5-(2-amino-1-phenylpropan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N-[(2-methyl-1,3-oxazol-4-yl)methyl]-5-(1,3-oxazol-2-yl)benzamide is Cc1nc(CNC(=O)c2cc(Cc3nnc(C(C)(N)Cc4ccccc4)o3)cc(-c3ncco3)c2)co1.

What is the InChIKey of 3-[[5-(2-amino-1-phenylpropan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N-[(2-methyl-1,3-oxazol-4-yl)methyl]-5-(1,3-oxazol-2-yl)benzamide?

The InChIKey is XFNAMBMXPOXKAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N6O4/c1-17-31-22(16-36-17)15-30-24(34)20-10-19(11-21(13-20)25-29-8-9-35-25)12-23-32-33-26(37-23)27(2,28)14-18-6-4-3-5-7-18/h3-11,13,16H,12,14-15,28H2,1-2H3,(H,30,34).

What are the key properties of 3-[[5-(2-amino-1-phenylpropan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N-[(2-methyl-1,3-oxazol-4-yl)methyl]-5-(1,3-oxazol-2-yl)benzamide?

3-[[5-(2-amino-1-phenylpropan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N-[(2-methyl-1,3-oxazol-4-yl)methyl]-5-(1,3-oxazol-2-yl)benzamide has a molecular weight of 498.54 g/mol, XLogP of 3.96, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[5-(2-amino-1-phenylpropan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N-[(2-methyl-1,3-oxazol-4-yl)methyl]-5-(1,3-oxazol-2-yl)benzamide is sourced from PubChem (CID 123639148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).