(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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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).