2-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]amino]-N-(2-thiophen-2-ylethyl)acetamide

C16H22N4O2S — CID 51098345

IUPAC2-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]amino]-N-(2-thiophen-2-ylethyl)acetamide
SMILESCc1nc(C2(NCC(=O)NCCc3cccs3)CCCC2)no1
InChIInChI=1S/C16H22N4O2S/c1-12-19-15(20-22-12)16(7-2-3-8-16)18-11-14(21)17-9-6-13-5-4-10-23-13/h4-5,10,18H,2-3,6-9,11H2,1H3,(H,17,21)
InChIKeyREJPRUYVOZZSKT-UHFFFAOYSA-N
MW334.44 g/mol
LogP2.16
Rot. Bonds7

About 2-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]amino]-N-(2-thiophen-2-ylethyl)acetamide

2-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]amino]-N-(2-thiophen-2-ylethyl)acetamide (PubChem CID 51098345) has the molecular formula C16H22N4O2S and a molecular weight of 334.44 g/mol. Its IUPAC name is 2-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]amino]-N-(2-thiophen-2-ylethyl)acetamide.

Molecular Properties

Compound Name2-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]amino]-N-(2-thiophen-2-ylethyl)acetamide
PubChem CID51098345
Molecular FormulaC16H22N4O2S
Molecular Weight334.44 g/mol
Exact Mass334.15
IUPAC Name2-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]amino]-N-(2-thiophen-2-ylethyl)acetamide
SMILESCc1nc(C2(NCC(=O)NCCc3cccs3)CCCC2)no1
InChIInChI=1S/C16H22N4O2S/c1-12-19-15(20-22-12)16(7-2-3-8-16)18-11-14(21)17-9-6-13-5-4-10-23-13/h4-5,10,18H,2-3,6-9,11H2,1H3,(H,17,21)
InChIKeyREJPRUYVOZZSKT-UHFFFAOYSA-N
XLogP2.16
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]amino]-N-(2-thiophen-2-ylethyl)acetamide?
The IUPAC name of 2-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]amino]-N-(2-thiophen-2-ylethyl)acetamide (CID 51098345) is 2-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]amino]-N-(2-thiophen-2-ylethyl)acetamide.
What is the SMILES notation for 2-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]amino]-N-(2-thiophen-2-ylethyl)acetamide?
The canonical SMILES for 2-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]amino]-N-(2-thiophen-2-ylethyl)acetamide is Cc1nc(C2(NCC(=O)NCCc3cccs3)CCCC2)no1.
What is the InChIKey of 2-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]amino]-N-(2-thiophen-2-ylethyl)acetamide?
The InChIKey is REJPRUYVOZZSKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2S/c1-12-19-15(20-22-12)16(7-2-3-8-16)18-11-14(21)17-9-6-13-5-4-10-23-13/h4-5,10,18H,2-3,6-9,11H2,1H3,(H,17,21).
What are the key properties of 2-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]amino]-N-(2-thiophen-2-ylethyl)acetamide?
2-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]amino]-N-(2-thiophen-2-ylethyl)acetamide has a molecular weight of 334.44 g/mol, XLogP of 2.16, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]amino]-N-(2-thiophen-2-ylethyl)acetamide is sourced from PubChem (CID 51098345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).