(3-cyclooctyl-1,2,4-oxadiazol-5-yl)-thiophen-2-ylmethanamine

C15H21N3OS — CID 115285024

IUPAC(3-cyclooctyl-1,2,4-oxadiazol-5-yl)-thiophen-2-ylmethanamine
SMILESNC(c1nc(C2CCCCCCC2)no1)c1cccs1
InChIInChI=1S/C15H21N3OS/c16-13(12-9-6-10-20-12)15-17-14(18-19-15)11-7-4-2-1-3-5-8-11/h6,9-11,13H,1-5,7-8,16H2
InChIKeyKXGPSWYPCQTVDF-UHFFFAOYSA-N
MW291.42 g/mol
LogP4.01
Rot. Bonds3

About (3-cyclooctyl-1,2,4-oxadiazol-5-yl)-thiophen-2-ylmethanamine

(3-cyclooctyl-1,2,4-oxadiazol-5-yl)-thiophen-2-ylmethanamine (PubChem CID 115285024) has the molecular formula C15H21N3OS and a molecular weight of 291.42 g/mol. Its IUPAC name is (3-cyclooctyl-1,2,4-oxadiazol-5-yl)-thiophen-2-ylmethanamine.

Molecular Properties

Compound Name(3-cyclooctyl-1,2,4-oxadiazol-5-yl)-thiophen-2-ylmethanamine
PubChem CID115285024
Molecular FormulaC15H21N3OS
Molecular Weight291.42 g/mol
Exact Mass291.14
IUPAC Name(3-cyclooctyl-1,2,4-oxadiazol-5-yl)-thiophen-2-ylmethanamine
SMILESNC(c1nc(C2CCCCCCC2)no1)c1cccs1
InChIInChI=1S/C15H21N3OS/c16-13(12-9-6-10-20-12)15-17-14(18-19-15)11-7-4-2-1-3-5-8-11/h6,9-11,13H,1-5,7-8,16H2
InChIKeyKXGPSWYPCQTVDF-UHFFFAOYSA-N
XLogP4.01
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(R)-(2-chlorophenyl)-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)methanamine
CID 107315453
[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]-thiophen-2-ylmethanamine
CID 113278812
(3-cycloheptyl-1,2,4-oxadiazol-5-yl)-cyclohexylmethanamine
CID 65389317
(1R)-1-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)ethanamine
CID 104880933
[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]-thiophen-2-ylmethanamine
CID 115285009
2-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-1-phenylpropan-1-amine;hydrochloride
CID 119948094
(2S)-2-amino-2-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)ethanol
CID 104915781
(2R)-2-amino-2-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethanol
CID 92689985
(2S)-2-amino-2-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)ethanol
CID 104915877
3-[(3R)-oxolan-3-yl]-5-[(1R)-1-thiophen-2-ylethyl]-1,2,4-oxadiazole
CID 129380265
(1S,2R)-1-amino-1-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)propan-2-ol
CID 104965493
(1S)-1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-2,2-dimethylpropan-1-amine
CID 93357432

Frequently Asked Questions

What is the IUPAC name of (3-cyclooctyl-1,2,4-oxadiazol-5-yl)-thiophen-2-ylmethanamine?
The IUPAC name of (3-cyclooctyl-1,2,4-oxadiazol-5-yl)-thiophen-2-ylmethanamine (CID 115285024) is (3-cyclooctyl-1,2,4-oxadiazol-5-yl)-thiophen-2-ylmethanamine.
What is the SMILES notation for (3-cyclooctyl-1,2,4-oxadiazol-5-yl)-thiophen-2-ylmethanamine?
The canonical SMILES for (3-cyclooctyl-1,2,4-oxadiazol-5-yl)-thiophen-2-ylmethanamine is NC(c1nc(C2CCCCCCC2)no1)c1cccs1.
What is the InChIKey of (3-cyclooctyl-1,2,4-oxadiazol-5-yl)-thiophen-2-ylmethanamine?
The InChIKey is KXGPSWYPCQTVDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3OS/c16-13(12-9-6-10-20-12)15-17-14(18-19-15)11-7-4-2-1-3-5-8-11/h6,9-11,13H,1-5,7-8,16H2.
What are the key properties of (3-cyclooctyl-1,2,4-oxadiazol-5-yl)-thiophen-2-ylmethanamine?
(3-cyclooctyl-1,2,4-oxadiazol-5-yl)-thiophen-2-ylmethanamine has a molecular weight of 291.42 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclooctyl-1,2,4-oxadiazol-5-yl)-thiophen-2-ylmethanamine is sourced from PubChem (CID 115285024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).