3-[(2-pyrrolidin-2-ylpyrrolidin-1-yl)methyl]-5-thiophen-3-yl-1,2,4-oxadiazole

C15H20N4OS — CID 62273216

IUPAC3-[(2-pyrrolidin-2-ylpyrrolidin-1-yl)methyl]-5-thiophen-3-yl-1,2,4-oxadiazole
SMILESc1cc(-c2nc(CN3CCCC3C3CCCN3)no2)cs1
InChIInChI=1S/C15H20N4OS/c1-3-12(16-6-1)13-4-2-7-19(13)9-14-17-15(20-18-14)11-5-8-21-10-11/h5,8,10,12-13,16H,1-4,6-7,9H2
InChIKeyQFGKHLXJSQOHDQ-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.51
Rot. Bonds4

About 3-[(2-pyrrolidin-2-ylpyrrolidin-1-yl)methyl]-5-thiophen-3-yl-1,2,4-oxadiazole

3-[(2-pyrrolidin-2-ylpyrrolidin-1-yl)methyl]-5-thiophen-3-yl-1,2,4-oxadiazole (PubChem CID 62273216) has the molecular formula C15H20N4OS and a molecular weight of 304.42 g/mol. Its IUPAC name is 3-[(2-pyrrolidin-2-ylpyrrolidin-1-yl)methyl]-5-thiophen-3-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[(2-pyrrolidin-2-ylpyrrolidin-1-yl)methyl]-5-thiophen-3-yl-1,2,4-oxadiazole
PubChem CID62273216
Molecular FormulaC15H20N4OS
Molecular Weight304.42 g/mol
Exact Mass304.14
IUPAC Name3-[(2-pyrrolidin-2-ylpyrrolidin-1-yl)methyl]-5-thiophen-3-yl-1,2,4-oxadiazole
SMILESc1cc(-c2nc(CN3CCCC3C3CCCN3)no2)cs1
InChIInChI=1S/C15H20N4OS/c1-3-12(16-6-1)13-4-2-7-19(13)9-14-17-15(20-18-14)11-5-8-21-10-11/h5,8,10,12-13,16H,1-4,6-7,9H2
InChIKeyQFGKHLXJSQOHDQ-UHFFFAOYSA-N
XLogP2.51
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-pyrrolidin-2-ylpyrrolidin-1-yl)methyl]-5-thiophen-3-yl-1,2,4-oxadiazole?
The IUPAC name of 3-[(2-pyrrolidin-2-ylpyrrolidin-1-yl)methyl]-5-thiophen-3-yl-1,2,4-oxadiazole (CID 62273216) is 3-[(2-pyrrolidin-2-ylpyrrolidin-1-yl)methyl]-5-thiophen-3-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[(2-pyrrolidin-2-ylpyrrolidin-1-yl)methyl]-5-thiophen-3-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-[(2-pyrrolidin-2-ylpyrrolidin-1-yl)methyl]-5-thiophen-3-yl-1,2,4-oxadiazole is c1cc(-c2nc(CN3CCCC3C3CCCN3)no2)cs1.
What is the InChIKey of 3-[(2-pyrrolidin-2-ylpyrrolidin-1-yl)methyl]-5-thiophen-3-yl-1,2,4-oxadiazole?
The InChIKey is QFGKHLXJSQOHDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4OS/c1-3-12(16-6-1)13-4-2-7-19(13)9-14-17-15(20-18-14)11-5-8-21-10-11/h5,8,10,12-13,16H,1-4,6-7,9H2.
What are the key properties of 3-[(2-pyrrolidin-2-ylpyrrolidin-1-yl)methyl]-5-thiophen-3-yl-1,2,4-oxadiazole?
3-[(2-pyrrolidin-2-ylpyrrolidin-1-yl)methyl]-5-thiophen-3-yl-1,2,4-oxadiazole has a molecular weight of 304.42 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-pyrrolidin-2-ylpyrrolidin-1-yl)methyl]-5-thiophen-3-yl-1,2,4-oxadiazole is sourced from PubChem (CID 62273216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).