[3-[(2-thiophen-2-ylpyrrolidin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine

C12H16N4OS — CID 120750622

IUPAC[3-[(2-thiophen-2-ylpyrrolidin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine
SMILESNCc1nc(CN2CCCC2c2cccs2)no1
InChIInChI=1S/C12H16N4OS/c13-7-12-14-11(15-17-12)8-16-5-1-3-9(16)10-4-2-6-18-10/h2,4,6,9H,1,3,5,7-8,13H2
InChIKeyKUZFQFUXDUMQGZ-UHFFFAOYSA-N
MW264.35 g/mol
LogP1.93
Rot. Bonds4

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

[3-[(2-thiophen-2-ylpyrrolidin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine (PubChem CID 120750622) has the molecular formula C12H16N4OS and a molecular weight of 264.35 g/mol. Its IUPAC name is [3-[(2-thiophen-2-ylpyrrolidin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine.

Molecular Properties

Compound Name[3-[(2-thiophen-2-ylpyrrolidin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine
PubChem CID120750622
Molecular FormulaC12H16N4OS
Molecular Weight264.35 g/mol
Exact Mass264.10
IUPAC Name[3-[(2-thiophen-2-ylpyrrolidin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine
SMILESNCc1nc(CN2CCCC2c2cccs2)no1
InChIInChI=1S/C12H16N4OS/c13-7-12-14-11(15-17-12)8-16-5-1-3-9(16)10-4-2-6-18-10/h2,4,6,9H,1,3,5,7-8,13H2
InChIKeyKUZFQFUXDUMQGZ-UHFFFAOYSA-N
XLogP1.93
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[3-[(2-thiophen-2-ylpyrrolidin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride
CID 120750621
[3-[[2-(3-chlorophenyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride
CID 120750995
[3-[[2-(2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 120751671
[3-[[2-(4-fluorophenyl)piperidin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 120752300
[3-[(2-cyclobutylpyrrolidin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 120751601
(2R)-2-thiophen-2-yl-1-(thiophen-2-ylmethyl)azepane
CID 92878241
[3-[[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 120752744
[3-[[2-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 120751343
1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 120752679
2-(4-fluorophenyl)-4-[[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]methyl]-1,3-oxazole
CID 31811934
[3-[[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 120752607
5-methyl-2-thiophen-2-yl-4-[[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methyl]-1,3-oxazole
CID 30238946

Frequently Asked Questions

What is the IUPAC name of [3-[(2-thiophen-2-ylpyrrolidin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine?
The IUPAC name of [3-[(2-thiophen-2-ylpyrrolidin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine (CID 120750622) is [3-[(2-thiophen-2-ylpyrrolidin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine.
What is the SMILES notation for [3-[(2-thiophen-2-ylpyrrolidin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine?
The canonical SMILES for [3-[(2-thiophen-2-ylpyrrolidin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine is NCc1nc(CN2CCCC2c2cccs2)no1.
What is the InChIKey of [3-[(2-thiophen-2-ylpyrrolidin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine?
The InChIKey is KUZFQFUXDUMQGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4OS/c13-7-12-14-11(15-17-12)8-16-5-1-3-9(16)10-4-2-6-18-10/h2,4,6,9H,1,3,5,7-8,13H2.
What are the key properties of [3-[(2-thiophen-2-ylpyrrolidin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine?
[3-[(2-thiophen-2-ylpyrrolidin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine has a molecular weight of 264.35 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2-thiophen-2-ylpyrrolidin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine is sourced from PubChem (CID 120750622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).