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

C11H13N3OS — CID 121209568

IUPAC2-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)cyclopentan-1-amine
SMILESNC1CCCC1c1noc(-c2cccs2)n1
InChIInChI=1S/C11H13N3OS/c12-8-4-1-3-7(8)10-13-11(15-14-10)9-5-2-6-16-9/h2,5-8H,1,3-4,12H2
InChIKeyAFTBGKZVVZUXCY-UHFFFAOYSA-N
MW235.31 g/mol
LogP2.39
Rot. Bonds2

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

2-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)cyclopentan-1-amine (PubChem CID 121209568) has the molecular formula C11H13N3OS and a molecular weight of 235.31 g/mol. Its IUPAC name is 2-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)cyclopentan-1-amine.

Molecular Properties

Compound Name2-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)cyclopentan-1-amine
PubChem CID121209568
Molecular FormulaC11H13N3OS
Molecular Weight235.31 g/mol
Exact Mass235.08
IUPAC Name2-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)cyclopentan-1-amine
SMILESNC1CCCC1c1noc(-c2cccs2)n1
InChIInChI=1S/C11H13N3OS/c12-8-4-1-3-7(8)10-13-11(15-14-10)9-5-2-6-16-9/h2,5-8H,1,3-4,12H2
InChIKeyAFTBGKZVVZUXCY-UHFFFAOYSA-N
XLogP2.39
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-methyl-4-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]cyclohexane-1,4-diamine
CID 79121097
furan-3-yl-[(3R)-3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
CID 124876341
2-methoxy-1-[3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethanone
CID 119102358
furan-3-yl-[(3S)-3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
CID 124876340
(2-methylsulfanyl-3-pyridinyl)-[(3R)-3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
CID 124892522
2-methoxy-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]cyclopentane-1-sulfonamide
CID 166332045
1-benzothiophen-2-yl-[(3S)-3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
CID 124759884
2,2-dimethyl-1-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)propan-1-amine
CID 61326280
N-[[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]methyl]cyclobutanecarboxamide
CID 53156123
2-(6-methyl-2-pyridinyl)cyclopentan-1-amine
CID 130045918
1-[1-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]ethanamine
CID 63594663
4-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methylamino]cyclohexane-1-carboxylic acid
CID 60809560

Frequently Asked Questions

What is the IUPAC name of 2-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)cyclopentan-1-amine?
The IUPAC name of 2-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)cyclopentan-1-amine (CID 121209568) is 2-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)cyclopentan-1-amine.
What is the SMILES notation for 2-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)cyclopentan-1-amine?
The canonical SMILES for 2-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)cyclopentan-1-amine is NC1CCCC1c1noc(-c2cccs2)n1.
What is the InChIKey of 2-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)cyclopentan-1-amine?
The InChIKey is AFTBGKZVVZUXCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3OS/c12-8-4-1-3-7(8)10-13-11(15-14-10)9-5-2-6-16-9/h2,5-8H,1,3-4,12H2.
What are the key properties of 2-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)cyclopentan-1-amine?
2-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)cyclopentan-1-amine has a molecular weight of 235.31 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)cyclopentan-1-amine is sourced from PubChem (CID 121209568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).