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

C12H15N3OS — CID 61289519

IUPAC1-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine
SMILESNC1(c2nc(-c3ccsc3)no2)CCCCC1
InChIInChI=1S/C12H15N3OS/c13-12(5-2-1-3-6-12)11-14-10(15-16-11)9-4-7-17-8-9/h4,7-8H,1-3,5-6,13H2
InChIKeyCPCKJSQTVIGITL-UHFFFAOYSA-N
MW249.34 g/mol
LogP2.92
Rot. Bonds2

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

1-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine (PubChem CID 61289519) has the molecular formula C12H15N3OS and a molecular weight of 249.34 g/mol. Its IUPAC name is 1-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine
PubChem CID61289519
Molecular FormulaC12H15N3OS
Molecular Weight249.34 g/mol
Exact Mass249.09
IUPAC Name1-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine
SMILESNC1(c2nc(-c3ccsc3)no2)CCCCC1
InChIInChI=1S/C12H15N3OS/c13-12(5-2-1-3-6-12)11-14-10(15-16-11)9-4-7-17-8-9/h4,7-8H,1-3,5-6,13H2
InChIKeyCPCKJSQTVIGITL-UHFFFAOYSA-N
XLogP2.92
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine?
The IUPAC name of 1-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine (CID 61289519) is 1-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine.
What is the SMILES notation for 1-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine?
The canonical SMILES for 1-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine is NC1(c2nc(-c3ccsc3)no2)CCCCC1.
What is the InChIKey of 1-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine?
The InChIKey is CPCKJSQTVIGITL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3OS/c13-12(5-2-1-3-6-12)11-14-10(15-16-11)9-4-7-17-8-9/h4,7-8H,1-3,5-6,13H2.
What are the key properties of 1-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine?
1-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine has a molecular weight of 249.34 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine is sourced from PubChem (CID 61289519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).