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

C18H19N5O5 — CID 9371658

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

2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]-N-(2-nitrophenyl)acetamide (PubChem CID 9371658) has the molecular formula C18H19N5O5 and a molecular weight of 385.38 g/mol. Its IUPAC name is 2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]-N-(2-nitrophenyl)acetamide.

Molecular Properties

• Compound Name: 2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]-N-(2-nitrophenyl)acetamide
• PubChem CID: 9371658
• Molecular Formula: C18H19N5O5
• Molecular Weight: 385.38 g/mol
• Exact Mass: 385.14
• IUPAC Name: 2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]-N-(2-nitrophenyl)acetamide
• SMILES: CCCN(CC(=O)Nc1ccccc1[N+](=O)[O-])Cc1nnc(-c2ccco2)o1
• InChI: InChI=1S/C18H19N5O5/c1-2-9-22(12-17-20-21-18(28-17)15-8-5-10-27-15)11-16(24)19-13-6-3-4-7-14(13)23(25)26/h3-8,10H,2,9,11-12H2,1H3,(H,19,24)
• InChIKey: UJTXQOAQNJIOBU-UHFFFAOYSA-N
• XLogP: 3.09
• TPSA: 127.54 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	385.38
LogP ≤ 5	3.09
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of 2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]-N-(2-nitrophenyl)acetamide (CID 9371658) is 2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]-N-(2-nitrophenyl)acetamide.

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

The canonical SMILES for 2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]-N-(2-nitrophenyl)acetamide is CCCN(CC(=O)Nc1ccccc1[N+](=O)[O-])Cc1nnc(-c2ccco2)o1.

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

The InChIKey is UJTXQOAQNJIOBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O5/c1-2-9-22(12-17-20-21-18(28-17)15-8-5-10-27-15)11-16(24)19-13-6-3-4-7-14(13)23(25)26/h3-8,10H,2,9,11-12H2,1H3,(H,19,24).

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

2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]-N-(2-nitrophenyl)acetamide has a molecular weight of 385.38 g/mol, XLogP of 3.09, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]-N-(2-nitrophenyl)acetamide is sourced from PubChem (CID 9371658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).