ethyl 4-[3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)propanoyl]piperazine-1-carboxylate

C16H20N4O4S — CID 110335223

IUPACethyl 4-[3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)propanoyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)CCc2nnc(-c3cccs3)o2)CC1
InChIInChI=1S/C16H20N4O4S/c1-2-23-16(22)20-9-7-19(8-10-20)14(21)6-5-13-17-18-15(24-13)12-4-3-11-25-12/h3-4,11H,2,5-10H2,1H3
InChIKeyHNNOFNWMROKIJI-UHFFFAOYSA-N
MW364.43 g/mol
LogP2.03
Rot. Bonds5

About ethyl 4-[3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)propanoyl]piperazine-1-carboxylate

ethyl 4-[3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)propanoyl]piperazine-1-carboxylate (PubChem CID 110335223) has the molecular formula C16H20N4O4S and a molecular weight of 364.43 g/mol. Its IUPAC name is ethyl 4-[3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)propanoyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)propanoyl]piperazine-1-carboxylate
PubChem CID110335223
Molecular FormulaC16H20N4O4S
Molecular Weight364.43 g/mol
Exact Mass364.12
IUPAC Nameethyl 4-[3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)propanoyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)CCc2nnc(-c3cccs3)o2)CC1
InChIInChI=1S/C16H20N4O4S/c1-2-23-16(22)20-9-7-19(8-10-20)14(21)6-5-13-17-18-15(24-13)12-4-3-11-25-12/h3-4,11H,2,5-10H2,1H3
InChIKeyHNNOFNWMROKIJI-UHFFFAOYSA-N
XLogP2.03
TPSA88.77 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze ethyl 4-[3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)propanoyl]piperazine-1-carboxylate with MolForge

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Related Compounds

3-(4-methoxyphenyl)-1-[4-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]propan-1-one
CID 86970246
ethyl 4-(5-thiophen-2-ylpentanoyl)piperazine-1-carboxylate
CID 110297724
N-(4-ethoxyphenyl)-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 110335290
ethyl 2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]acetate
CID 60673442
N-cyclopropyl-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 110335163
1-(4-acetylpiperazin-1-yl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propan-1-one
CID 51218726
N-(4-pyrrolidin-1-ylphenyl)-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 110335310
2-(4-acetylpiperazin-1-yl)-N-propyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide
CID 55410072
benzyl 4-(3-thiophen-2-ylpropanoyl)piperazine-1-carboxylate
CID 110818649
ethyl (3R)-3-phenyl-3-[1-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoyl]piperidin-4-yl]propanoate
CID 51957756
N-[(4-chlorophenyl)methyl]-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 110335195
N-(oxolan-2-ylmethyl)-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 110335177

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)propanoyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)propanoyl]piperazine-1-carboxylate (CID 110335223) is ethyl 4-[3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)propanoyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)propanoyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)propanoyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)CCc2nnc(-c3cccs3)o2)CC1.
What is the InChIKey of ethyl 4-[3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)propanoyl]piperazine-1-carboxylate?
The InChIKey is HNNOFNWMROKIJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O4S/c1-2-23-16(22)20-9-7-19(8-10-20)14(21)6-5-13-17-18-15(24-13)12-4-3-11-25-12/h3-4,11H,2,5-10H2,1H3.
What are the key properties of ethyl 4-[3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)propanoyl]piperazine-1-carboxylate?
ethyl 4-[3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)propanoyl]piperazine-1-carboxylate has a molecular weight of 364.43 g/mol, XLogP of 2.03, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)propanoyl]piperazine-1-carboxylate is sourced from PubChem (CID 110335223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).