N-[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]-2-[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]acetamide

C21H26N4O3 — CID 110627377

About N-[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]-2-[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]acetamide

N-[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]-2-[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]acetamide (PubChem CID 110627377) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is N-[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]-2-[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]acetamide.

Molecular Properties

• Compound Name: N-[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]-2-[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]acetamide
• PubChem CID: 110627377
• Molecular Formula: C21H26N4O3
• Molecular Weight: 382.46 g/mol
• Exact Mass: 382.20
• IUPAC Name: N-[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]-2-[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]acetamide
• SMILES: Cc1nnc(C(CC(C)C)NC(=O)Cc2nc(-c3ccccc3C)oc2C)o1
• InChI: InChI=1S/C21H26N4O3/c1-12(2)10-18(21-25-24-15(5)28-21)22-19(26)11-17-14(4)27-20(23-17)16-9-7-6-8-13(16)3/h6-9,12,18H,10-11H2,1-5H3,(H,22,26)
• InChIKey: UDCLHOZOWGKILX-UHFFFAOYSA-N
• XLogP: 4.10
• TPSA: 94.05 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	382.46
LogP ≤ 5	4.10
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]-2-[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]acetamide?

The IUPAC name of N-[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]-2-[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]acetamide (CID 110627377) is N-[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]-2-[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]acetamide.

What is the SMILES notation for N-[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]-2-[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]acetamide?

The canonical SMILES for N-[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]-2-[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]acetamide is Cc1nnc(C(CC(C)C)NC(=O)Cc2nc(-c3ccccc3C)oc2C)o1.

What is the InChIKey of N-[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]-2-[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]acetamide?

The InChIKey is UDCLHOZOWGKILX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3/c1-12(2)10-18(21-25-24-15(5)28-21)22-19(26)11-17-14(4)27-20(23-17)16-9-7-6-8-13(16)3/h6-9,12,18H,10-11H2,1-5H3,(H,22,26).

What are the key properties of N-[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]-2-[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]acetamide?

N-[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]-2-[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]acetamide has a molecular weight of 382.46 g/mol, XLogP of 4.10, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]-2-[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]acetamide is sourced from PubChem (CID 110627377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).