ethyl 2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]acetate

C14H19N3O3S — CID 60673442

About ethyl 2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]acetate

ethyl 2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]acetate (PubChem CID 60673442) has the molecular formula C14H19N3O3S and a molecular weight of 309.39 g/mol. Its IUPAC name is ethyl 2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]acetate.

Molecular Properties

• Compound Name: ethyl 2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]acetate
• PubChem CID: 60673442
• Molecular Formula: C14H19N3O3S
• Molecular Weight: 309.39 g/mol
• Exact Mass: 309.11
• IUPAC Name: ethyl 2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]acetate
• SMILES: CCCN(CC(=O)OCC)Cc1nnc(-c2cccs2)o1
• InChI: InChI=1S/C14H19N3O3S/c1-3-7-17(10-13(18)19-4-2)9-12-15-16-14(20-12)11-6-5-8-21-11/h5-6,8H,3-4,7,9-10H2,1-2H3
• InChIKey: YFRAMHYZOCCVRA-UHFFFAOYSA-N
• XLogP: 2.57
• TPSA: 68.46 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	309.39
LogP ≤ 5	2.57
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]acetate?

The IUPAC name of ethyl 2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]acetate (CID 60673442) is ethyl 2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]acetate.

What is the SMILES notation for ethyl 2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]acetate?

The canonical SMILES for ethyl 2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]acetate is CCCN(CC(=O)OCC)Cc1nnc(-c2cccs2)o1.

What is the InChIKey of ethyl 2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]acetate?

The InChIKey is YFRAMHYZOCCVRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3S/c1-3-7-17(10-13(18)19-4-2)9-12-15-16-14(20-12)11-6-5-8-21-11/h5-6,8H,3-4,7,9-10H2,1-2H3.

What are the key properties of ethyl 2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]acetate?

ethyl 2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]acetate has a molecular weight of 309.39 g/mol, XLogP of 2.57, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]acetate is sourced from PubChem (CID 60673442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).