1-[5-(2,3-dihydro-1-benzothiophen-3-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine

C15H17N3OS — CID 79212801

IUPAC1-[5-(2,3-dihydro-1-benzothiophen-3-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
SMILESNC1(c2noc(C3CSc4ccccc43)n2)CCCC1
InChIInChI=1S/C15H17N3OS/c16-15(7-3-4-8-15)14-17-13(19-18-14)11-9-20-12-6-2-1-5-10(11)12/h1-2,5-6,11H,3-4,7-9,16H2
InChIKeyOTWJPCHCPKPWJM-UHFFFAOYSA-N
MW287.39 g/mol
LogP3.04
Rot. Bonds2

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

1-[5-(2,3-dihydro-1-benzothiophen-3-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine (PubChem CID 79212801) has the molecular formula C15H17N3OS and a molecular weight of 287.39 g/mol. Its IUPAC name is 1-[5-(2,3-dihydro-1-benzothiophen-3-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine.

Molecular Properties

Compound Name1-[5-(2,3-dihydro-1-benzothiophen-3-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
PubChem CID79212801
Molecular FormulaC15H17N3OS
Molecular Weight287.39 g/mol
Exact Mass287.11
IUPAC Name1-[5-(2,3-dihydro-1-benzothiophen-3-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
SMILESNC1(c2noc(C3CSc4ccccc43)n2)CCCC1
InChIInChI=1S/C15H17N3OS/c16-15(7-3-4-8-15)14-17-13(19-18-14)11-9-20-12-6-2-1-5-10(11)12/h1-2,5-6,11H,3-4,7-9,16H2
InChIKeyOTWJPCHCPKPWJM-UHFFFAOYSA-N
XLogP3.04
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[5-(2,3-dihydro-1-benzothiophen-3-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine with MolForge

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Related Compounds

5-(2,3-dihydro-1-benzothiophen-3-yl)-1,2,4-oxadiazol-3-amine
CID 79214157
5-(2,3-dihydro-1-benzothiophen-3-yl)-1,2,4-oxadiazole-3-carboxylic acid
CID 79211746
2-[5-(2,3-dihydro-1-benzothiophen-3-yl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine
CID 79213106
1-[5-[2-(2-chlorophenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120861103
1-[5-(4-phenylcyclohexyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120860751
1-[5-[2-(2,3-difluorophenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120850931
1-[5-(2,3-dihydro-1-benzofuran-2-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 61354306
1-[5-(2,3-dihydro-1-benzofuran-2-yl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
CID 61351721
1-(5-cycloheptyl-1,2,4-oxadiazol-3-yl)cyclopentan-1-amine
CID 55091396
1-(5-cycloheptyl-1,2,4-oxadiazol-3-yl)cyclohexan-1-amine
CID 62589652
1-[5-(thiolan-2-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120855602
1-(5-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl-1,2,4-oxadiazol-3-yl)cyclobutan-1-amine;hydrochloride
CID 120863917

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2,3-dihydro-1-benzothiophen-3-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine?
The IUPAC name of 1-[5-(2,3-dihydro-1-benzothiophen-3-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine (CID 79212801) is 1-[5-(2,3-dihydro-1-benzothiophen-3-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine.
What is the SMILES notation for 1-[5-(2,3-dihydro-1-benzothiophen-3-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine?
The canonical SMILES for 1-[5-(2,3-dihydro-1-benzothiophen-3-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine is NC1(c2noc(C3CSc4ccccc43)n2)CCCC1.
What is the InChIKey of 1-[5-(2,3-dihydro-1-benzothiophen-3-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine?
The InChIKey is OTWJPCHCPKPWJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3OS/c16-15(7-3-4-8-15)14-17-13(19-18-14)11-9-20-12-6-2-1-5-10(11)12/h1-2,5-6,11H,3-4,7-9,16H2.
What are the key properties of 1-[5-(2,3-dihydro-1-benzothiophen-3-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine?
1-[5-(2,3-dihydro-1-benzothiophen-3-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine has a molecular weight of 287.39 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2,3-dihydro-1-benzothiophen-3-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine is sourced from PubChem (CID 79212801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).