3-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide

C17H21N5O4 — CID 51110436

About 3-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide

3-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide (PubChem CID 51110436) has the molecular formula C17H21N5O4 and a molecular weight of 359.39 g/mol. Its IUPAC name is 3-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide.

Molecular Properties

• Compound Name: 3-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
• PubChem CID: 51110436
• Molecular Formula: C17H21N5O4
• Molecular Weight: 359.39 g/mol
• Exact Mass: 359.16
• IUPAC Name: 3-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
• SMILES: CCCN(CCC(=O)Nc1cc(C)on1)Cc1nnc(-c2ccco2)o1
• InChI: InChI=1S/C17H21N5O4/c1-3-7-22(8-6-15(23)18-14-10-12(2)26-21-14)11-16-19-20-17(25-16)13-5-4-9-24-13/h4-5,9-10H,3,6-8,11H2,1-2H3,(H,18,21,23)
• InChIKey: DXUOIVHCEHMPGZ-UHFFFAOYSA-N
• XLogP: 2.87
• TPSA: 110.43 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	359.39
LogP ≤ 5	2.87
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?

The IUPAC name of 3-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide (CID 51110436) is 3-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide.

What is the SMILES notation for 3-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?

The canonical SMILES for 3-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide is CCCN(CCC(=O)Nc1cc(C)on1)Cc1nnc(-c2ccco2)o1.

What is the InChIKey of 3-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?

The InChIKey is DXUOIVHCEHMPGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O4/c1-3-7-22(8-6-15(23)18-14-10-12(2)26-21-14)11-16-19-20-17(25-16)13-5-4-9-24-13/h4-5,9-10H,3,6-8,11H2,1-2H3,(H,18,21,23).

What are the key properties of 3-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?

3-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide has a molecular weight of 359.39 g/mol, XLogP of 2.87, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide is sourced from PubChem (CID 51110436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).