N-(3-methyl-2-morpholin-4-ylbutyl)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide

C18H26N4O3S — CID 42943235

About N-(3-methyl-2-morpholin-4-ylbutyl)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide

N-(3-methyl-2-morpholin-4-ylbutyl)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide (PubChem CID 42943235) has the molecular formula C18H26N4O3S and a molecular weight of 378.50 g/mol. Its IUPAC name is N-(3-methyl-2-morpholin-4-ylbutyl)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide.

Molecular Properties

• Compound Name: N-(3-methyl-2-morpholin-4-ylbutyl)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
• PubChem CID: 42943235
• Molecular Formula: C18H26N4O3S
• Molecular Weight: 378.50 g/mol
• Exact Mass: 378.17
• IUPAC Name: N-(3-methyl-2-morpholin-4-ylbutyl)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
• SMILES: CC(C)C(CNC(=O)CCc1nnc(-c2ccsc2)o1)N1CCOCC1
• InChI: InChI=1S/C18H26N4O3S/c1-13(2)15(22-6-8-24-9-7-22)11-19-16(23)3-4-17-20-21-18(25-17)14-5-10-26-12-14/h5,10,12-13,15H,3-4,6-9,11H2,1-2H3,(H,19,23)
• InChIKey: DOASYJFXUXBYFI-UHFFFAOYSA-N
• XLogP: 2.20
• TPSA: 80.49 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	378.50
LogP ≤ 5	2.20
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-2-morpholin-4-ylbutyl)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide?

The IUPAC name of N-(3-methyl-2-morpholin-4-ylbutyl)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide (CID 42943235) is N-(3-methyl-2-morpholin-4-ylbutyl)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide.

What is the SMILES notation for N-(3-methyl-2-morpholin-4-ylbutyl)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide?

The canonical SMILES for N-(3-methyl-2-morpholin-4-ylbutyl)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide is CC(C)C(CNC(=O)CCc1nnc(-c2ccsc2)o1)N1CCOCC1.

What is the InChIKey of N-(3-methyl-2-morpholin-4-ylbutyl)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide?

The InChIKey is DOASYJFXUXBYFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O3S/c1-13(2)15(22-6-8-24-9-7-22)11-19-16(23)3-4-17-20-21-18(25-17)14-5-10-26-12-14/h5,10,12-13,15H,3-4,6-9,11H2,1-2H3,(H,19,23).

What are the key properties of N-(3-methyl-2-morpholin-4-ylbutyl)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide?

N-(3-methyl-2-morpholin-4-ylbutyl)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide has a molecular weight of 378.50 g/mol, XLogP of 2.20, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-methyl-2-morpholin-4-ylbutyl)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide is sourced from PubChem (CID 42943235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).