1-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine

C12H15N3OS — CID 62503204

IUPAC1-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
SMILESNC1(c2nc(Cc3cccs3)no2)CCCC1
InChIInChI=1S/C12H15N3OS/c13-12(5-1-2-6-12)11-14-10(15-16-11)8-9-4-3-7-17-9/h3-4,7H,1-2,5-6,8,13H2
InChIKeyZQTZLPYWMNIZJH-UHFFFAOYSA-N
MW249.34 g/mol
LogP2.45
Rot. Bonds3

About 1-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine

1-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine (PubChem CID 62503204) has the molecular formula C12H15N3OS and a molecular weight of 249.34 g/mol. Its IUPAC name is 1-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine.

Molecular Properties

Compound Name1-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
PubChem CID62503204
Molecular FormulaC12H15N3OS
Molecular Weight249.34 g/mol
Exact Mass249.09
IUPAC Name1-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
SMILESNC1(c2nc(Cc3cccs3)no2)CCCC1
InChIInChI=1S/C12H15N3OS/c13-12(5-1-2-6-12)11-14-10(15-16-11)8-9-4-3-7-17-9/h3-4,7H,1-2,5-6,8,13H2
InChIKeyZQTZLPYWMNIZJH-UHFFFAOYSA-N
XLogP2.45
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]amino]-N-(2-thiophen-2-ylethyl)acetamide
CID 51098345
N-(1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl)-2-(thiophen-3-yl)acetamide
CID 71791995
5-[3-(Thiophen-2-yl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 7130853
2-[[1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)cyclopentyl]amino]-N-(2-thiophen-2-ylethyl)acetamide
CID 71928039
(3-(Thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl)methanamine
CID 25219497
2-[3-[(2-Fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 66052250
1-[3-[(2-Fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 66053210
1-[3-[(2-Fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 66053790
1-[3-[(3-Fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 66067661
2-[3-[(3-Fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 66067666
1-[3-[(3-Fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 66069772
1-[3-[(4-Fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 66070525

Frequently Asked Questions

What is the IUPAC name of 1-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine?
The IUPAC name of 1-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine (CID 62503204) is 1-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine.
What is the SMILES notation for 1-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine?
The canonical SMILES for 1-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine is NC1(c2nc(Cc3cccs3)no2)CCCC1.
What is the InChIKey of 1-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine?
The InChIKey is ZQTZLPYWMNIZJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3OS/c13-12(5-1-2-6-12)11-14-10(15-16-11)8-9-4-3-7-17-9/h3-4,7H,1-2,5-6,8,13H2.
What are the key properties of 1-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine?
1-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine has a molecular weight of 249.34 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine is sourced from PubChem (CID 62503204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).